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]+ 276.174676 160.6
[M+Na]+ 298.156618 162.3
[M-H]- 274.160124 161.1
[M+NH4]+ 293.201223 178.6
[M+K]+ 314.130558 156.4
[M+H-H2O]+ 258.164660 151.2
[M+HCOO]- 320.165601 169.8
[M+CH3COO]- 334.181251 168.6
[M+Na-2H]- 296.142066 169.6
[M]+ 275.16685142 157.0
[M]- 275.16794858 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.