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 177.4
[M+Na]+ 329.19882 192.2
[M+NH4]+ 324.24342 187.4
[M+K]+ 345.17276 182.2
[M-H]- 305.20232 183.7
[M+Na-2H]- 327.18427 185.5
[M]+ 306.20905 181.5
[M]- 306.21015 181.5
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.