CID 5278980

1h-indole-4-carboxamide, n-[(1s,2s)-3-[(2s)-4,4-difluoro-3,3-dimethyl-2-[[(2-methylpropyl)amino]carbonyl]-1-pyrrolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-2,3-dihydro-

Structural Information

Molecular Formula
C30H38F2N4O4
SMILES
CC(C)CNC(=O)[C@@H]1C(C(CN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=C4CCNC4=CC=C3)O)(F)F)(C)C
InChI
InChI=1S/C30H38F2N4O4/c1-18(2)16-34-27(39)25-29(3,4)30(31,32)17-36(25)28(40)24(37)23(15-19-9-6-5-7-10-19)35-26(38)21-11-8-12-22-20(21)13-14-33-22/h5-12,18,23-25,33,37H,13-17H2,1-4H3,(H,34,39)(H,35,38)/t23-,24-,25+/m0/s1
InChIKey
ANSPGAHULPVJPM-CCDWMCETSA-N
Compound name
N-[(2S,3S)-4-[(2S)-4,4-difluoro-3,3-dimethyl-2-(2-methylpropylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2,3-dihydro-1H-indole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

556.28613 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.29341 230.4
[M+Na]+ 579.27535 230.7
[M-H]- 555.27885 232.6
[M+NH4]+ 574.31995 237.9
[M+K]+ 595.24929 226.8
[M+H-H2O]+ 539.28339 221.6
[M+HCOO]- 601.28433 237.6
[M+CH3COO]- 615.29998 253.1
[M+Na-2H]- 577.26080 221.8
[M]+ 556.28558 225.3
[M]- 556.28668 225.3
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