CID 30377

2-chloro-6-methylcarbanilic acid (1-ethyl-3-piperidyl)methyl ester

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCN1CCCC(C1)COC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C16H23ClN2O2/c1-3-19-9-5-7-13(10-19)11-21-16(20)18-15-12(2)6-4-8-14(15)17/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,18,20)
InChIKey
KQSYJRHHYDJLBW-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 173.8
[M+Na]+ 333.13402 179.2
[M-H]- 309.13752 178.2
[M+NH4]+ 328.17862 187.9
[M+K]+ 349.10796 174.5
[M+H-H2O]+ 293.14206 165.9
[M+HCOO]- 355.14300 188.0
[M+CH3COO]- 369.15865 206.5
[M+Na-2H]- 331.11947 174.4
[M]+ 310.14425 173.8
[M]- 310.14535 173.8
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.