CID 485019

(4r)-2-oxo-4-(thiazol-2-ylmethyl)-n-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

Structural Information

Molecular Formula
C16H14F3N3O2S
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC3=NC=CS3
InChI
InChI=1S/C16H14F3N3O2S/c17-16(18,19)11-3-1-10(2-4-11)9-21-15(24)22-12(8-14(22)23)7-13-20-5-6-25-13/h1-6,12H,7-9H2,(H,21,24)/t12-/m0/s1
InChIKey
LXLCYXWEAOSJJE-LBPRGKRZSA-N
Compound name
(4R)-2-oxo-4-(1,3-thiazol-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.0759 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08318 180.2
[M+Na]+ 392.06512 185.8
[M-H]- 368.06862 183.2
[M+NH4]+ 387.10972 185.2
[M+K]+ 408.03906 183.6
[M+H-H2O]+ 352.07316 163.1
[M+HCOO]- 414.07410 191.1
[M+CH3COO]- 428.08975 215.5
[M+Na-2H]- 390.05057 177.6
[M]+ 369.07535 186.9
[M]- 369.07645 186.9
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.