CID 3055750

3,4-diphenyl-1-azabicyclo(2.2.2)octane hydrochloride

Structural Information

Molecular Formula
C19H21N
SMILES
C1CN2CCC1(C(C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H21N/c1-3-7-16(8-4-1)18-15-20-13-11-19(18,12-14-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKey
MXBNPXGJAKJONY-UHFFFAOYSA-N
Compound name
3,4-diphenyl-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 159.3
[M+Na]+ 286.15662 162.8
[M-H]- 262.16012 160.4
[M+NH4]+ 281.20122 179.9
[M+K]+ 302.13056 157.1
[M+H-H2O]+ 246.16466 149.1
[M+HCOO]- 308.16560 169.7
[M+CH3COO]- 322.18125 168.2
[M+Na-2H]- 284.14207 170.3
[M]+ 263.16685 157.1
[M]- 263.16795 157.1
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

patents stripe