PubChemLite - 1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(3-((2-(2-methoxy-4-(1-propenyl)phenoxy)-1-oxopropyl)amino)propyl)-2,2,5,5-tetramethyl-, monohydrochloride (C25H37N3O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H37N3O4/c1-8-10-18-11-12-20(21(15-18)31-7)32-17(2)22(29)26-13-9-14-27-23(30)19-16-24(3,4)28-25(19,5)6/h8,10-12,15-17,28H,9,13-14H2,1-7H3,(H,26,29)(H,27,30)/b10-8+

InChIKey

BOBIHAFNADTPBL-CSKARUKUSA-N

Compound name

N-[3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propanoylamino]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]+	444.28568	207.7
[M+Na]+	466.26762	211.5
[M-H]-	442.27112	211.3
[M+NH4]+	461.31222	220.4
[M+K]+	482.24156	208.0
[M+H-H2O]+	426.27566	201.0
[M+HCOO]-	488.27660	225.4
[M+CH3COO]-	502.29225	235.8
[M+Na-2H]-	464.25307	204.7
[M]+	443.27785	211.3
[M]-	443.27895	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.28568

207.7

[M+Na]+

466.26762

211.5

[M-H]-

442.27112

211.3

[M+NH4]+

461.31222

220.4

[M+K]+

482.24156

208.0

[M+H-H2O]+

426.27566

201.0

[M+HCOO]-

488.27660

225.4

[M+CH3COO]-

502.29225

235.8

[M+Na-2H]-

464.25307

204.7

[M]+

443.27785

211.3

[M]-

443.27895

211.3

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-(2-methoxy-4-(1-propenyl)phenoxy)-1-oxopropyl)amino)propyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe