PubChemLite - A315677 (C19H34N2O3)

Structural Information

Molecular Formula

SMILES

CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)CC)/C=C\C)NC(=O)C)OC

InChI

InChI=1S/C19H34N2O3/c1-7-10-14-12-15(16(23)9-3)21-17(14)18(20-13(4)22)19(5,24-6)11-8-2/h7,10,14-15,17-18,21H,8-9,11-12H2,1-6H3,(H,20,22)/b10-7-/t14-,15-,17-,18-,19+/m1/s1

InChIKey

DDJDTHSCDUQHLG-XSDSRHNPSA-N

Compound name

N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S,5R)-5-propanoyl-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentyl]acetamide

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]+	339.26424	188.3
[M+Na]+	361.24618	190.2
[M-H]-	337.24968	187.7
[M+NH4]+	356.29078	201.5
[M+K]+	377.22012	187.5
[M+H-H2O]+	321.25422	181.7
[M+HCOO]-	383.25516	202.2
[M+CH3COO]-	397.27081	214.7
[M+Na-2H]-	359.23163	183.3
[M]+	338.25641	188.0
[M]-	338.25751	188.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

339.26424

188.3

[M+Na]+

361.24618

190.2

[M-H]-

337.24968

187.7

[M+NH4]+

356.29078

201.5

[M+K]+

377.22012

187.5

[M+H-H2O]+

321.25422

181.7

[M+HCOO]-

383.25516

202.2

[M+CH3COO]-

397.27081

214.7

[M+Na-2H]-

359.23163

183.3

[M]+

338.25641

188.0

[M]-

338.25751

188.0

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

A315677

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe