CID 485010

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

Structural Information

Molecular Formula
C17H15F3N2O2S
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CS3
InChI
InChI=1S/C17H15F3N2O2S/c18-17(19,20)12-5-3-11(4-6-12)10-21-16(24)22-13(9-15(22)23)8-14-2-1-7-25-14/h1-7,13H,8-10H2,(H,21,24)/t13-/m0/s1
InChIKey
QLCIZDZIBXBISA-ZDUSSCGKSA-N
Compound name
(4R)-2-oxo-4-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.08063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08791 180.3
[M+Na]+ 391.06985 185.6
[M-H]- 367.07335 184.5
[M+NH4]+ 386.11445 186.7
[M+K]+ 407.04379 183.3
[M+H-H2O]+ 351.07789 163.9
[M+HCOO]- 413.07883 192.2
[M+CH3COO]- 427.09448 215.8
[M+Na-2H]- 389.05530 177.3
[M]+ 368.08008 186.9
[M]- 368.08118 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.