CID 28278

2-piperidinocyclohexyl 2,6-dimethylcarbanilate hydrochloride

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2CCCCC2N3CCCCC3
InChI
InChI=1S/C20H30N2O2/c1-15-9-8-10-16(2)19(15)21-20(23)24-18-12-5-4-11-17(18)22-13-6-3-7-14-22/h8-10,17-18H,3-7,11-14H2,1-2H3,(H,21,23)
InChIKey
JNYXIHBBZWIOEC-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylcyclohexyl) N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23802 182.7
[M+Na]+ 353.21996 183.7
[M-H]- 329.22346 188.9
[M+NH4]+ 348.26456 194.1
[M+K]+ 369.19390 179.8
[M+H-H2O]+ 313.22800 172.4
[M+HCOO]- 375.22894 197.0
[M+CH3COO]- 389.24459 212.0
[M+Na-2H]- 351.20541 181.1
[M]+ 330.23019 174.9
[M]- 330.23129 174.9
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.