CID 29990

Carbanilic acid, o-methyl-, 2-piperidinocyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CC1=CC=CC=C1NC(=O)OC2CCCCC2N3CCCCC3
InChI
InChI=1S/C19H28N2O2/c1-15-9-3-4-10-16(15)20-19(22)23-18-12-6-5-11-17(18)21-13-7-2-8-14-21/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,20,22)
InChIKey
ZYMYXSHDZYGIRH-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylcyclohexyl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 178.0
[M+Na]+ 339.204318 178.4
[M-H]- 315.207824 183.9
[M+NH4]+ 334.248923 189.6
[M+K]+ 355.178258 174.7
[M+H-H2O]+ 299.212360 167.6
[M+HCOO]- 361.213301 192.5
[M+CH3COO]- 375.228951 207.8
[M+Na-2H]- 337.189766 177.6
[M]+ 316.21455142 169.4
[M]- 316.21564858 169.4
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.