CID 9795278

123464-89-1

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
InChIKey
WECKJONDRAUFDD-ZDUSSCGKSA-N
Compound name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

195
References

450
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 152.8
[M+Na]+ 287.09216 164.9
[M+NH4]+ 282.13676 163.8
[M+K]+ 303.06610 156.4
[M-H]- 263.09566 153.7
[M+Na-2H]- 285.07761 153.8
[M]+ 264.10239 155.0
[M]- 264.10349 155.0
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