CID 23649427

Gsk-1482160

Structural Information

Molecular Formula
C14H14ClF3N2O2
SMILES
CN1[C@@H](CCC1=O)C(=O)NCC2=C(C(=CC=C2)C(F)(F)F)Cl
InChI
InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
InChIKey
BJEMSIVBBUBXMZ-JTQLQIEISA-N
Compound name
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

34
Patents

334.06958 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07686 173.8
[M+Na]+ 357.05880 181.2
[M+NH4]+ 352.10340 177.8
[M+K]+ 373.03274 178.1
[M-H]- 333.06230 170.9
[M+Na-2H]- 355.04425 175.8
[M]+ 334.06903 173.7
[M]- 334.07013 173.7
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