CID 28294

Carbanilic acid, o-chloro-, 2-(diethylamino)cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C17H25ClN2O2
SMILES
CCN(CC)C1CCCCC1OC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C17H25ClN2O2/c1-3-20(4-2)15-11-7-8-12-16(15)22-17(21)19-14-10-6-5-9-13(14)18/h5-6,9-10,15-16H,3-4,7-8,11-12H2,1-2H3,(H,19,21)
InChIKey
VMUNPRZTHYBEHJ-UHFFFAOYSA-N
Compound name
[2-(diethylamino)cyclohexyl] N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16046 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.167736 178.3
[M+Na]+ 347.149678 181.6
[M-H]- 323.153184 184.9
[M+NH4]+ 342.194283 193.1
[M+K]+ 363.123618 178.2
[M+H-H2O]+ 307.157720 170.5
[M+HCOO]- 369.158661 195.0
[M+CH3COO]- 383.174311 214.1
[M+Na-2H]- 345.135126 178.6
[M]+ 324.15991142 178.4
[M]- 324.16100858 178.4
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.