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

588
Patents

278.1909 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19818 170.3
[M+Na]+ 301.18012 174.1
[M-H]- 277.18362 177.5
[M+NH4]+ 296.22472 185.8
[M+K]+ 317.15406 163.0
[M+H-H2O]+ 261.18816 163.2
[M+HCOO]- 323.18910 186.9
[M+CH3COO]- 337.20475 193.0
[M+Na-2H]- 299.16557 175.3
[M]+ 278.19035 162.4
[M]- 278.19145 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.