CID 28294

O-chlorocarbanilic acid 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]+ 325.16774 178.3
[M+Na]+ 347.14968 181.6
[M-H]- 323.15318 184.9
[M+NH4]+ 342.19428 193.1
[M+K]+ 363.12362 178.2
[M+H-H2O]+ 307.15772 170.5
[M+HCOO]- 369.15866 195.0
[M+CH3COO]- 383.17431 214.1
[M+Na-2H]- 345.13513 178.6
[M]+ 324.15991 178.4
[M]- 324.16101 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.