CID 34583

2-chloro-6-methylcarbanilic acid 3-quinuclidinyl ester hydrochloride

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C15H19ClN2O2/c1-10-3-2-4-12(16)14(10)17-15(19)20-13-9-18-7-5-11(13)6-8-18/h2-4,11,13H,5-9H2,1H3,(H,17,19)
InChIKey
HKHYIJSQHODDIP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12078 159.9
[M+Na]+ 317.10272 171.7
[M+NH4]+ 312.14732 170.2
[M+K]+ 333.07666 163.8
[M-H]- 293.10622 160.4
[M+Na-2H]- 315.08817 160.1
[M]+ 294.11295 161.9
[M]- 294.11405 161.9
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.