CID 468480

Chembl330330

Structural Information

Molecular Formula
C19H19N3O3
SMILES
C1CN(CC1=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H19N3O3/c23-16-8-10-22(13-16)19(25)17(11-14-5-2-1-3-6-14)21-18(24)15-7-4-9-20-12-15/h1-7,9,12,17H,8,10-11,13H2,(H,21,24)/t17-/m0/s1
InChIKey
MVCHKYHIVVDCAX-KRWDZBQOSA-N
Compound name
N-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 178.9
[M+Na]+ 360.13186 182.1
[M-H]- 336.13536 185.3
[M+NH4]+ 355.17646 189.8
[M+K]+ 376.10580 178.3
[M+H-H2O]+ 320.13990 168.5
[M+HCOO]- 382.14084 197.4
[M+CH3COO]- 396.15649 210.0
[M+Na-2H]- 358.11731 178.7
[M]+ 337.14209 175.9
[M]- 337.14319 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.