CID 5278757

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

Structural Information

Molecular Formula
C29H34F2N4O4
SMILES
CC1([C@H](N(CC1(F)F)C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=C4CCNC4=CC=C3)O)C(=O)NCC=C)C
InChI
InChI=1S/C29H34F2N4O4/c1-4-14-33-26(38)24-28(2,3)29(30,31)17-35(24)27(39)23(36)22(16-18-9-6-5-7-10-18)34-25(37)20-11-8-12-21-19(20)13-15-32-21/h4-12,22-24,32,36H,1,13-17H2,2-3H3,(H,33,38)(H,34,37)/t22-,23-,24+/m0/s1
InChIKey
PUDNECJPZMQOJX-KMDXXIMOSA-N
Compound name
N-[(2S,3S)-4-[(2S)-4,4-difluoro-3,3-dimethyl-2-(prop-2-enylcarbamoyl)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

2
Patents

540.2548 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.26208 226.2
[M+Na]+ 563.24402 227.5
[M-H]- 539.24752 228.4
[M+NH4]+ 558.28862 234.3
[M+K]+ 579.21796 222.4
[M+H-H2O]+ 523.25206 217.0
[M+HCOO]- 585.25300 234.8
[M+CH3COO]- 599.26865 248.8
[M+Na-2H]- 561.22947 218.9
[M]+ 540.25425 220.5
[M]- 540.25535 220.5
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