CID 342492

3-diethylaminophenyl n-(3-trifluoromethylphenyl)carbamate

Structural Information

Molecular Formula
C18H19F3N2O2
SMILES
CCN(CC)C1=CC(=CC=C1)OC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H19F3N2O2/c1-3-23(4-2)15-9-6-10-16(12-15)25-17(24)22-14-8-5-7-13(11-14)18(19,20)21/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKey
ODHNGPQWAMSPCZ-UHFFFAOYSA-N
Compound name
[3-(diethylamino)phenyl] N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.13986 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14714 181.1
[M+Na]+ 375.12908 186.9
[M-H]- 351.13258 185.0
[M+NH4]+ 370.17368 194.0
[M+K]+ 391.10302 183.7
[M+H-H2O]+ 335.13712 169.8
[M+HCOO]- 397.13806 201.5
[M+CH3COO]- 411.15371 220.2
[M+Na-2H]- 373.11453 183.3
[M]+ 352.13931 179.6
[M]- 352.14041 179.6
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.