PubChemLite - 1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(3-(((2-methoxy-4-(1-propenyl)phenoxy)acetyl)amino)propyl)-2,2,5,5-tetramethyl-, monohydrochloride (C24H35N3O4)

Structural Information

Molecular Formula

SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC(NC2(C)C)(C)C)OC

InChI

InChI=1S/C24H35N3O4/c1-7-9-17-10-11-19(20(14-17)30-6)31-16-21(28)25-12-8-13-26-22(29)18-15-23(2,3)27-24(18,4)5/h7,9-11,14-15,27H,8,12-13,16H2,1-6H3,(H,25,28)(H,26,29)/b9-7+

InChIKey

JBUUTKCUOATJNO-VQHVLOKHSA-N

Compound name

N-[3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	430.27004	203.4
[M+Na]+	452.25198	207.8
[M-H]-	428.25548	207.0
[M+NH4]+	447.29658	216.6
[M+K]+	468.22592	203.8
[M+H-H2O]+	412.26002	196.4
[M+HCOO]-	474.26096	222.4
[M+CH3COO]-	488.27661	232.0
[M+Na-2H]-	450.23743	201.9
[M]+	429.26221	207.1
[M]-	429.26331	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.27004

203.4

[M+Na]+

452.25198

207.8

[M-H]-

428.25548

207.0

[M+NH4]+

447.29658

216.6

[M+K]+

468.22592

203.8

[M+H-H2O]+

412.26002

196.4

[M+HCOO]-

474.26096

222.4

[M+CH3COO]-

488.27661

232.0

[M+Na-2H]-

450.23743

201.9

[M]+

429.26221

207.1

[M]-

429.26331

207.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(3-(((2-methoxy-4-(1-propenyl)phenoxy)acetyl)amino)propyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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