CID 29990

O-methylcarbanilic acid 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]+ 317.22238 178.0
[M+Na]+ 339.20432 178.4
[M-H]- 315.20782 183.9
[M+NH4]+ 334.24892 189.6
[M+K]+ 355.17826 174.7
[M+H-H2O]+ 299.21236 167.6
[M+HCOO]- 361.21330 192.5
[M+CH3COO]- 375.22895 207.8
[M+Na-2H]- 337.18977 177.6
[M]+ 316.21455 169.4
[M]- 316.21565 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.