CID 19900

3-(3,3-diphenylpropyl)-3-azabicyclo(3.2.2)nonane hydrochloride

Structural Information

Molecular Formula
C23H29N
SMILES
C1CC2CCC1CN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N/c1-3-7-21(8-4-1)23(22-9-5-2-6-10-22)15-16-24-17-19-11-12-20(18-24)14-13-19/h1-10,19-20,23H,11-18H2
InChIKey
BVFWWRRURIGDSE-UHFFFAOYSA-N
Compound name
3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 182.7
[M+Na]+ 342.21922 188.1
[M-H]- 318.22272 186.9
[M+NH4]+ 337.26382 198.2
[M+K]+ 358.19316 182.3
[M+H-H2O]+ 302.22726 181.2
[M+HCOO]- 364.22820 191.7
[M+CH3COO]- 378.24385 189.8
[M+Na-2H]- 340.20467 189.2
[M]+ 319.22945 179.6
[M]- 319.23055 179.6
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.