CID 29988

2,6-dichlorocarbanilic acid, 2-piperidinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C18H24Cl2N2O2
SMILES
C1CCN(CC1)C2CCCCC2OC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C18H24Cl2N2O2/c19-13-7-6-8-14(20)17(13)21-18(23)24-16-10-3-2-9-15(16)22-11-4-1-5-12-22/h6-8,15-16H,1-5,9-12H2,(H,21,23)
InChIKey
LVJRVUIDQBNLJM-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylcyclohexyl) N-(2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1215 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12878 186.7
[M+Na]+ 393.11072 189.7
[M-H]- 369.11422 192.1
[M+NH4]+ 388.15532 197.9
[M+K]+ 409.08466 183.7
[M+H-H2O]+ 353.11876 177.8
[M+HCOO]- 415.11970 192.1
[M+CH3COO]- 429.13535 213.7
[M+Na-2H]- 391.09617 184.9
[M]+ 370.12095 182.0
[M]- 370.12205 182.0
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.