CID 3562480

Methyl (2-oxo-2-phenyl-1-{[3-(trifluoromethyl)phenyl]amino}ethyl)carbamate

Structural Information

Molecular Formula
C17H15F3N2O3
SMILES
COC(=O)NC(C(=O)C1=CC=CC=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C17H15F3N2O3/c1-25-16(24)22-15(14(23)11-6-3-2-4-7-11)21-13-9-5-8-12(10-13)17(18,19)20/h2-10,15,21H,1H3,(H,22,24)
InChIKey
PRQUXPDBMOIMFQ-UHFFFAOYSA-N
Compound name
methyl N-[2-oxo-2-phenyl-1-[3-(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]+ 353.11078 177.6
[M+Na]+ 375.09272 182.3
[M-H]- 351.09622 180.0
[M+NH4]+ 370.13732 189.2
[M+K]+ 391.06666 179.1
[M+H-H2O]+ 335.10076 166.7
[M+HCOO]- 397.10170 196.2
[M+CH3COO]- 411.11735 215.8
[M+Na-2H]- 373.07817 179.7
[M]+ 352.10295 173.6
[M]- 352.10405 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.