PubChemLite - N1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide (C22H26N4O4)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(=O)CC(=O)NCCC2=CC=CC=N2

InChI

InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1

InChIKey

ZPFPZRVOBBMZMP-SFHVURJKSA-N

Compound name

N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-oxo-N'-(2-pyridin-2-ylethyl)butanediamide

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]+	411.20268	199.8
[M+Na]+	433.18462	199.6
[M-H]-	409.18812	204.9
[M+NH4]+	428.22922	207.1
[M+K]+	449.15856	198.4
[M+H-H2O]+	393.19266	188.8
[M+HCOO]-	455.19360	220.3
[M+CH3COO]-	469.20925	234.5
[M+Na-2H]-	431.17007	199.0
[M]+	410.19485	200.7
[M]-	410.19595	200.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.20268

199.8

[M+Na]+

433.18462

199.6

[M-H]-

409.18812

204.9

[M+NH4]+

428.22922

207.1

[M+K]+

449.15856

198.4

[M+H-H2O]+

393.19266

188.8

[M+HCOO]-

455.19360

220.3

[M+CH3COO]-

469.20925

234.5

[M+Na-2H]-

431.17007

199.0

[M]+

410.19485

200.7

[M]-

410.19595

200.7

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

N1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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