CID 485013

(2s)-2-(1h-benzimidazol-2-ylmethyl)-4-oxo-n-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H17F3N4O2
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H17F3N4O2/c21-20(22,23)13-7-5-12(6-8-13)11-24-19(29)27-14(10-18(27)28)9-17-25-15-3-1-2-4-16(15)26-17/h1-8,14H,9-11H2,(H,24,29)(H,25,26)/t14-/m0/s1
InChIKey
YDJVAVDIOMYLBI-AWEZNQCLSA-N
Compound name
(2S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.13037 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13765 196.0
[M+Na]+ 425.11959 203.0
[M-H]- 401.12309 197.9
[M+NH4]+ 420.16419 198.3
[M+K]+ 441.09353 198.9
[M+H-H2O]+ 385.12763 178.0
[M+HCOO]- 447.12857 208.6
[M+CH3COO]- 461.14422 222.8
[M+Na-2H]- 423.10504 196.3
[M]+ 402.12982 201.1
[M]- 402.13092 201.1
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

No patent data available for this compound.