PubChemLite - 93823-87-1 (C24H35N3O4)

Structural Information

Molecular Formula

SMILES

CC(C(=O)NCCNC(=O)C1=CC(NC1(C)C)(C)C)OC2=C(C=C(C=C2)CC=C)OC

InChI

InChI=1S/C24H35N3O4/c1-8-9-17-10-11-19(20(14-17)30-7)31-16(2)21(28)25-12-13-26-22(29)18-15-23(3,4)27-24(18,5)6/h8,10-11,14-16,27H,1,9,12-13H2,2-7H3,(H,25,28)(H,26,29)

InChIKey

KHBADMKWHUXDLN-UHFFFAOYSA-N

Compound name

N-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]ethyl]-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	203.2
[M+Na]+	452.25198	207.3
[M-H]-	428.25548	206.9
[M+NH4]+	447.29658	216.3
[M+K]+	468.22592	204.0
[M+H-H2O]+	412.26002	196.5
[M+HCOO]-	474.26096	221.2
[M+CH3COO]-	488.27661	233.5
[M+Na-2H]-	450.23743	200.6
[M]+	429.26221	206.4
[M]-	429.26331	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.27004

203.2

[M+Na]+

452.25198

207.3

[M-H]-

428.25548

206.9

[M+NH4]+

447.29658

216.3

[M+K]+

468.22592

204.0

[M+H-H2O]+

412.26002

196.5

[M+HCOO]-

474.26096

221.2

[M+CH3COO]-

488.27661

233.5

[M+Na-2H]-

450.23743

200.6

[M]+

429.26221

206.4

[M]-

429.26331

206.4

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

93823-87-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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