CID 3602206

Methyl n-(2-oxo-2-phenyl-1-{[2-(trifluoromethyl)phenyl]amino}ethyl)carbamate

Structural Information

Molecular Formula
C17H15F3N2O3
SMILES
COC(=O)NC(C(=O)C1=CC=CC=C1)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C17H15F3N2O3/c1-25-16(24)22-15(14(23)11-7-3-2-4-8-11)21-13-10-6-5-9-12(13)17(18,19)20/h2-10,15,21H,1H3,(H,22,24)
InChIKey
VXUHDPVOEMBTBG-UHFFFAOYSA-N
Compound name
methyl N-[2-oxo-2-phenyl-1-[2-(trifluoromethyl)anilino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.1035 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.110776 177.6
[M+Na]+ 375.092718 182.3
[M-H]- 351.096224 180.0
[M+NH4]+ 370.137323 189.2
[M+K]+ 391.066658 179.1
[M+H-H2O]+ 335.100760 166.7
[M+HCOO]- 397.101701 196.2
[M+CH3COO]- 411.117351 215.8
[M+Na-2H]- 373.078166 179.7
[M]+ 352.10295142 173.6
[M]- 352.10404858 173.6
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.