CID 10144822

Cyclopentanecarboxylic acid (1-{2-(4-fluoro-phenyl)-1-[1-(2-oxo-dihydro-furan-3-ylidenemethyl)-2-(2-oxo-pyrrolidin-3-yl)-ethylcarbamoyl]-ethyl}-2-oxo-1,2-dihydro-pyridin-3-yl)-amide

Structural Information

Molecular Formula
C31H35FN4O6
SMILES
C1CCC(C1)C(=O)NC2=CC=CN(C2=O)[C@@H](CC3=CC=C(C=C3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)/C=C/5\CCOC5=O
InChI
InChI=1S/C31H35FN4O6/c32-23-9-7-19(8-10-23)16-26(36-14-3-6-25(30(36)40)35-28(38)20-4-1-2-5-20)29(39)34-24(17-21-11-13-33-27(21)37)18-22-12-15-42-31(22)41/h3,6-10,14,18,20-21,24,26H,1-2,4-5,11-13,15-17H2,(H,33,37)(H,34,39)(H,35,38)/b22-18+/t21-,24-,26-/m0/s1
InChIKey
KCXKBVYBNBTODU-NPDPEYBRSA-N
Compound name
N-[1-[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(1E,2S)-1-(2-oxooxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-2-oxopyridin-3-yl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

578.2541 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.26138 232.0
[M+Na]+ 601.24332 229.3
[M-H]- 577.24682 242.6
[M+NH4]+ 596.28792 233.5
[M+K]+ 617.21726 226.1
[M+H-H2O]+ 561.25136 222.2
[M+HCOO]- 623.25230 242.5
[M+CH3COO]- 637.26795 255.1
[M+Na-2H]- 599.22877 219.4
[M]+ 578.25355 224.9
[M]- 578.25465 224.9
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

patents stripe