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 164.4
[M+Na]+ 317.10272 168.8
[M-H]- 293.10622 162.6
[M+NH4]+ 312.14732 183.5
[M+K]+ 333.07666 164.8
[M+H-H2O]+ 277.11076 158.3
[M+HCOO]- 339.11170 170.8
[M+CH3COO]- 353.12735 173.1
[M+Na-2H]- 315.08817 172.8
[M]+ 294.11295 167.3
[M]- 294.11405 167.3
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.