CID 30373

O-methylcarbanilic acid (1-ethyl-3-piperidyl)methyl ester hydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCN1CCCC(C1)COC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C16H24N2O2/c1-3-18-10-6-8-14(11-18)12-20-16(19)17-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3,(H,17,19)
InChIKey
PFEAJJUMTYSJKK-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl)methyl N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.4
[M+Na]+ 299.17300 171.0
[M-H]- 275.17650 171.5
[M+NH4]+ 294.21760 181.6
[M+K]+ 315.14694 168.1
[M+H-H2O]+ 259.18104 158.5
[M+HCOO]- 321.18198 186.1
[M+CH3COO]- 335.19763 201.7
[M+Na-2H]- 297.15845 169.2
[M]+ 276.18323 164.8
[M]- 276.18433 164.8
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.