CID 51225

3-(p-chlorobenzoyl)-7-methylbispidine fumarate

Structural Information

Molecular Formula
C15H19ClN2O
SMILES
CN1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H19ClN2O/c1-17-7-11-6-12(8-17)10-18(9-11)15(19)13-2-4-14(16)5-3-13/h2-5,11-12H,6-10H2,1H3
InChIKey
SAHAYGJLGWRGBB-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1186 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12588 164.5
[M+Na]+ 301.10782 170.8
[M-H]- 277.11132 166.5
[M+NH4]+ 296.15242 180.1
[M+K]+ 317.08176 165.4
[M+H-H2O]+ 261.11586 156.1
[M+HCOO]- 323.11680 172.9
[M+CH3COO]- 337.13245 174.1
[M+Na-2H]- 299.09327 167.1
[M]+ 278.11805 161.6
[M]- 278.11915 161.6
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.