CID 28272

O-chlorocarbanilic acid 2-piperidinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H25ClN2O2
SMILES
C1CCN(CC1)C2CCCCC2OC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C18H25ClN2O2/c19-14-8-2-3-9-15(14)20-18(22)23-17-11-5-4-10-16(17)21-12-6-1-7-13-21/h2-3,8-9,16-17H,1,4-7,10-13H2,(H,20,22)
InChIKey
SYCLOXPKIWCSGA-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.16046 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16774 180.5
[M+Na]+ 359.14968 182.1
[M-H]- 335.15318 186.4
[M+NH4]+ 354.19428 192.2
[M+K]+ 375.12362 177.1
[M+H-H2O]+ 319.15772 170.8
[M+HCOO]- 381.15866 190.9
[M+CH3COO]- 395.17431 208.4
[M+Na-2H]- 357.13513 180.1
[M]+ 336.15991 173.9
[M]- 336.16101 173.9
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.