CID 468479

Chembl329234

Structural Information

Molecular Formula
C23H21N3O3
SMILES
C1CN(CC1=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H21N3O3/c27-18-12-13-26(15-18)23(29)21(14-16-6-2-1-3-7-16)25-22(28)20-11-10-17-8-4-5-9-19(17)24-20/h1-11,21H,12-15H2,(H,25,28)/t21-/m0/s1
InChIKey
NEGRQMWDKHGCPE-NRFANRHFSA-N
Compound name
N-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16558 191.7
[M+Na]+ 410.14752 195.1
[M-H]- 386.15102 198.8
[M+NH4]+ 405.19212 201.4
[M+K]+ 426.12146 190.0
[M+H-H2O]+ 370.15556 180.8
[M+HCOO]- 432.15650 208.4
[M+CH3COO]- 446.17215 199.6
[M+Na-2H]- 408.13297 191.7
[M]+ 387.15775 189.0
[M]- 387.15885 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.