CID 485012

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

Structural Information

Molecular Formula
C18H16F3N3O2
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=N3
InChI
InChI=1S/C18H16F3N3O2/c19-18(20,21)13-6-4-12(5-7-13)11-23-17(26)24-15(10-16(24)25)9-14-3-1-2-8-22-14/h1-8,15H,9-11H2,(H,23,26)/t15-/m0/s1
InChIKey
KNGHPTANDWSQJD-HNNXBMFYSA-N
Compound name
(4S)-2-oxo-4-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.11948 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12676 185.8
[M+Na]+ 386.10870 191.6
[M-H]- 362.11220 188.4
[M+NH4]+ 381.15330 188.6
[M+K]+ 402.08264 189.3
[M+H-H2O]+ 346.11674 167.4
[M+HCOO]- 408.11768 200.1
[M+CH3COO]- 422.13333 218.1
[M+Na-2H]- 384.09415 186.9
[M]+ 363.11893 190.0
[M]- 363.12003 190.0
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.