CID 2837546

N-butyl-4-chloro-n-(8-methyl-8-azabicyclo(3.2.1)oct-2-en-3-yl)benzamide monohydrochloride

Structural Information

Molecular Formula
C19H25ClN2O
SMILES
CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H25ClN2O/c1-3-4-11-22(19(23)14-5-7-15(20)8-6-14)18-12-16-9-10-17(13-18)21(16)2/h5-8,12,16-17H,3-4,9-11,13H2,1-2H3
InChIKey
FETLJBXPGXXLIH-UHFFFAOYSA-N
Compound name
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.16553 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17281 179.1
[M+Na]+ 355.15475 191.0
[M+NH4]+ 350.19935 188.1
[M+K]+ 371.12869 184.4
[M-H]- 331.15825 182.8
[M+Na-2H]- 353.14020 183.3
[M]+ 332.16498 182.1
[M]- 332.16608 182.1
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.