CID 3941

3-(diphenylmethylene)quinuclidine hydrochloride

Structural Information

Molecular Formula
C20H21N
SMILES
C1CN2CCC1C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2
InChI
InChI=1S/C20H21N/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16H,11-15H2
InChIKey
HDKROIJMOQEIJT-UHFFFAOYSA-N
Compound name
3-benzhydrylidene-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17468 160.6
[M+Na]+ 298.15662 162.3
[M-H]- 274.16012 161.1
[M+NH4]+ 293.20122 178.6
[M+K]+ 314.13056 156.4
[M+H-H2O]+ 258.16466 151.2
[M+HCOO]- 320.16560 169.8
[M+CH3COO]- 334.18125 168.6
[M+Na-2H]- 296.14207 169.6
[M]+ 275.16685 157.0
[M]- 275.16795 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.