CID 30039

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

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C15H21ClN2O2/c1-12-6-5-7-13(16)14(12)17-15(19)20-11-10-18-8-3-2-4-9-18/h5-7H,2-4,8-11H2,1H3,(H,17,19)
InChIKey
CDZFRUOQNCMEBM-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 169.2
[M+Na]+ 319.11837 174.1
[M-H]- 295.12187 173.3
[M+NH4]+ 314.16297 183.5
[M+K]+ 335.09231 169.6
[M+H-H2O]+ 279.12641 161.2
[M+HCOO]- 341.12735 183.7
[M+CH3COO]- 355.14300 202.3
[M+Na-2H]- 317.10382 171.1
[M]+ 296.12860 168.4
[M]- 296.12970 168.4
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.