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

199
References

457
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.