CID 89855776

M8891

Structural Information

Molecular Formula
C20H17F2N3O3
SMILES
C1CN(C(=O)[C@]1(C(=O)NCC2=CC(=CC(=C2)F)F)O)C3=CC4=C(C=C3)NC=C4
InChI
InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
InChIKey
WVGGJQVCOTYFPV-FQEVSTJZSA-N
Compound name
(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-1-(1H-indol-5-yl)-2-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

385.1238 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.131076 185.4
[M+Na]+ 408.113018 194.6
[M-H]- 384.116524 190.0
[M+NH4]+ 403.157623 199.3
[M+K]+ 424.086958 187.4
[M+H-H2O]+ 368.121060 175.7
[M+HCOO]- 430.122001 202.4
[M+CH3COO]- 444.137651 194.9
[M+Na-2H]- 406.098466 184.7
[M]+ 385.12325142 182.6
[M]- 385.12434858 182.6
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

patents stripe