CID 49514

Carbanilic acid, 2-(cyclohexylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCC(CC1)NCCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c18-15(17-14-9-5-2-6-10-14)19-12-11-16-13-7-3-1-4-8-13/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,17,18)
InChIKey
QXBFUCHAIXNTHG-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

262.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.0
[M+Na]+ 285.15734 162.2
[M-H]- 261.16084 165.8
[M+NH4]+ 280.20194 176.0
[M+K]+ 301.13128 159.7
[M+H-H2O]+ 245.16538 152.4
[M+HCOO]- 307.16632 182.4
[M+CH3COO]- 321.18197 198.8
[M+Na-2H]- 283.14279 165.1
[M]+ 262.16757 156.0
[M]- 262.16867 156.0
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.