CID 6127

Diphemanil

Structural Information

Molecular Formula
C20H24N
SMILES
C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C
InChI
InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1
InChIKey
LCTZPQRFOZKZNK-UHFFFAOYSA-N
Compound name
4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

89
References

591
Patents

278.1909 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.198176 170.3
[M+Na]+ 301.180118 174.1
[M-H]- 277.183624 177.5
[M+NH4]+ 296.224723 185.8
[M+K]+ 317.154058 163.0
[M+H-H2O]+ 261.188160 163.2
[M+HCOO]- 323.189101 186.9
[M+CH3COO]- 337.204751 193.0
[M+Na-2H]- 299.165566 175.3
[M]+ 278.19035142 162.4
[M]- 278.19144858 162.4
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

patents stripe