CID 115448

63978-04-1

Structural Information

Molecular Formula
C20H24N2
SMILES
CN1C2CCC1CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H24N2/c1-21-18-12-13-19(21)15-22(14-18)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3
InChIKey
VPIRVRHBFOMBQB-UHFFFAOYSA-N
Compound name
3-benzhydryl-8-methyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.201216 171.8
[M+Na]+ 315.183158 176.1
[M-H]- 291.186664 176.9
[M+NH4]+ 310.227763 187.0
[M+K]+ 331.157098 170.3
[M+H-H2O]+ 275.191200 161.6
[M+HCOO]- 337.192141 186.3
[M+CH3COO]- 351.207791 181.0
[M+Na-2H]- 313.168606 173.1
[M]+ 292.19339142 167.0
[M]- 292.19448858 167.0
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.