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

3
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.174676 159.3
[M+Na]+ 286.156618 162.8
[M-H]- 262.160124 160.4
[M+NH4]+ 281.201223 179.9
[M+K]+ 302.130558 157.1
[M+H-H2O]+ 246.164660 149.1
[M+HCOO]- 308.165601 169.7
[M+CH3COO]- 322.181251 168.2
[M+Na-2H]- 284.142066 170.3
[M]+ 263.16685142 157.1
[M]- 263.16794858 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