CID 47080546

2,2,2-trifluoroethyl n-{4-[cyclohexyl(methyl)amino]-3-fluorophenyl}carbamate hydrochloride

Structural Information

Molecular Formula
C16H20F4N2O2
SMILES
CN(C1CCCCC1)C2=C(C=C(C=C2)NC(=O)OCC(F)(F)F)F
InChI
InChI=1S/C16H20F4N2O2/c1-22(12-5-3-2-4-6-12)14-8-7-11(9-13(14)17)21-15(23)24-10-16(18,19)20/h7-9,12H,2-6,10H2,1H3,(H,21,23)
InChIKey
KQENFVYMAPUFQQ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1461 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15338 178.1
[M+Na]+ 371.13532 181.8
[M-H]- 347.13882 179.7
[M+NH4]+ 366.17992 190.8
[M+K]+ 387.10926 179.2
[M+H-H2O]+ 331.14336 166.4
[M+HCOO]- 393.14430 193.7
[M+CH3COO]- 407.15995 218.1
[M+Na-2H]- 369.12077 177.9
[M]+ 348.14555 170.4
[M]- 348.14665 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.