CID 485008

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

Structural Information

Molecular Formula
C17H15F3N2O3
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CO3
InChI
InChI=1S/C17H15F3N2O3/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
BXGFKGCUPKYMTH-ZDUSSCGKSA-N
Compound name
(2S)-2-(furan-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

352.1035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11078 177.2
[M+Na]+ 375.09272 182.8
[M-H]- 351.09622 182.3
[M+NH4]+ 370.13732 182.4
[M+K]+ 391.06666 182.8
[M+H-H2O]+ 335.10076 161.3
[M+HCOO]- 397.10170 193.4
[M+CH3COO]- 411.11735 214.6
[M+Na-2H]- 373.07817 177.5
[M]+ 352.10295 183.4
[M]- 352.10405 183.4
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.