CID 2802540

3-chloro-n-(3-quinuclidinyl)benzamide

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
C1CN2CCC1C(C2)NC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
InChIKey
NFCKUDVYRHEVOM-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

20
Patents

264.10294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 156.0
[M+Na]+ 287.09216 160.1
[M-H]- 263.09566 154.0
[M+NH4]+ 282.13676 176.0
[M+K]+ 303.06610 155.5
[M+H-H2O]+ 247.10020 149.9
[M+HCOO]- 309.10114 162.7
[M+CH3COO]- 323.11679 165.0
[M+Na-2H]- 285.07761 165.5
[M]+ 264.10239 156.8
[M]- 264.10349 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe