CID 3040621

Phenidium chloride

Structural Information

Molecular Formula
C20H18N3
SMILES
C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=C(C=C4)N
InChI
InChI=1S/C20H17N3/c1-23-19-5-3-2-4-17(19)16-11-10-15(22)12-18(16)20(23)13-6-8-14(21)9-7-13/h2-12,21H,22H2,1H3/p+1
InChIKey
SNNGCMNNWYVVBW-UHFFFAOYSA-O
Compound name
6-(4-aminophenyl)-5-methylphenanthridin-5-ium-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1501 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15738 169.1
[M+Na]+ 323.13932 189.2
[M+NH4]+ 318.18392 180.4
[M+K]+ 339.11326 179.6
[M-H]- 299.14282 179.0
[M+Na-2H]- 321.12477 180.7
[M]+ 300.14955 175.5
[M]- 300.15065 175.5
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.