CID 28268

2-chloro-6-methylcarbanilic acid 2-piperidinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C19H27ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2N3CCCCC3
InChI
InChI=1S/C19H27ClN2O2/c1-14-8-7-9-15(20)18(14)21-19(23)24-17-11-4-3-10-16(17)22-12-5-2-6-13-22/h7-9,16-17H,2-6,10-13H2,1H3,(H,21,23)
InChIKey
KWUCZBSXLHRVFH-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17612 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18340 185.3
[M+Na]+ 373.16534 187.5
[M-H]- 349.16884 191.4
[M+NH4]+ 368.20994 196.8
[M+K]+ 389.13928 182.3
[M+H-H2O]+ 333.17338 175.8
[M+HCOO]- 395.17432 195.4
[M+CH3COO]- 409.18997 212.6
[M+Na-2H]- 371.15079 183.7
[M]+ 350.17557 179.5
[M]- 350.17667 179.5
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.