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]+ 293.20122 171.8
[M+Na]+ 315.18316 176.1
[M-H]- 291.18666 176.9
[M+NH4]+ 310.22776 187.0
[M+K]+ 331.15710 170.3
[M+H-H2O]+ 275.19120 161.6
[M+HCOO]- 337.19214 186.3
[M+CH3COO]- 351.20779 181.0
[M+Na-2H]- 313.16861 173.1
[M]+ 292.19339 167.0
[M]- 292.19449 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.