CID 47343

3-diphenylmethyl-7-methylbispidine hydrochloride

Structural Information

Molecular Formula
C21H26N2
SMILES
CN1CC2CC(C1)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H26N2/c1-22-13-17-12-18(14-22)16-23(15-17)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,21H,12-16H2,1H3
InChIKey
GGDSTIBKSFDLHW-UHFFFAOYSA-N
Compound name
3-benzhydryl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 176.0
[M+Na]+ 329.19882 178.7
[M-H]- 305.20232 180.1
[M+NH4]+ 324.24342 188.4
[M+K]+ 345.17276 172.6
[M+H-H2O]+ 289.20686 164.6
[M+HCOO]- 351.20780 187.7
[M+CH3COO]- 365.22345 183.8
[M+Na-2H]- 327.18427 178.8
[M]+ 306.20905 169.0
[M]- 306.21015 169.0
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.