PubChemLite - 93823-88-2 (C25H37N3O4)

Structural Information

Molecular Formula

SMILES

CC(C(=O)NCCCNC(=O)C1=CC(NC1(C)C)(C)C)OC2=C(C=C(C=C2)CC=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/h8,11-12,15-17,28H,1,9-10,13-14H2,2-7H3,(H,26,29)(H,27,30)

InChIKey

MVADJXLFANUSQQ-UHFFFAOYSA-N

Compound name

N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)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	207.4
[M+Na]+	466.26762	211.0
[M-H]-	442.27112	210.9
[M+NH4]+	461.31222	220.0
[M+K]+	482.24156	207.6
[M+H-H2O]+	426.27566	200.6
[M+HCOO]-	488.27660	225.1
[M+CH3COO]-	502.29225	236.4
[M+Na-2H]-	464.25307	204.4
[M]+	443.27785	211.0
[M]-	443.27895	211.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.28568

207.4

[M+Na]+

466.26762

211.0

[M-H]-

442.27112

210.9

[M+NH4]+

461.31222

220.0

[M+K]+

482.24156

207.6

[M+H-H2O]+

426.27566

200.6

[M+HCOO]-

488.27660

225.1

[M+CH3COO]-

502.29225

236.4

[M+Na-2H]-

464.25307

204.4

[M]+

443.27785

211.0

[M]-

443.27895

211.0

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

93823-88-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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