CID 482409

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

Structural Information

Molecular Formula
C20H19F3N2O2
SMILES
CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H19F3N2O2/c1-24(13-15-7-9-16(10-8-15)20(21,22)23)19(27)25-17(12-18(25)26)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKey
DSMWPVUPTOYNQJ-QGZVFWFLSA-N
Compound name
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.13986 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14714 189.9
[M+Na]+ 399.12908 194.9
[M-H]- 375.13258 194.9
[M+NH4]+ 394.17368 194.1
[M+K]+ 415.10302 193.9
[M+H-H2O]+ 359.13712 171.9
[M+HCOO]- 421.13806 205.3
[M+CH3COO]- 435.15371 224.4
[M+Na-2H]- 397.11453 189.2
[M]+ 376.13931 195.4
[M]- 376.14041 195.4
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.