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]+ 370.083176 180.2
[M+Na]+ 392.065118 185.8
[M-H]- 368.068624 183.2
[M+NH4]+ 387.109723 185.2
[M+K]+ 408.039058 183.6
[M+H-H2O]+ 352.073160 163.1
[M+HCOO]- 414.074101 191.1
[M+CH3COO]- 428.089751 215.5
[M+Na-2H]- 390.050566 177.6
[M]+ 369.07535142 186.9
[M]- 369.07644858 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.