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 173.4
[M+Na]+ 323.13932 183.5
[M-H]- 299.14282 180.8
[M+NH4]+ 318.18392 188.2
[M+K]+ 339.11326 170.4
[M+H-H2O]+ 283.14736 166.6
[M+HCOO]- 345.14830 195.3
[M+CH3COO]- 359.16395 184.5
[M+Na-2H]- 321.12477 182.8
[M]+ 300.14955 171.5
[M]- 300.15065 171.5
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.