CID 147542

150c47

Structural Information

Molecular Formula
C20H19N4
SMILES
C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)N)N)N
InChI
InChI=1S/C20H18N4/c1-24-19-11-15(23)7-9-17(19)16-8-6-14(22)10-18(16)20(24)12-2-4-13(21)5-3-12/h2-11H,22H2,1H3,(H3,21,23)/p+1
InChIKey
WBUUFZCQNOOKOG-UHFFFAOYSA-O
Compound name
6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16826 176.7
[M+Na]+ 338.15020 186.9
[M-H]- 314.15370 183.9
[M+NH4]+ 333.19480 190.6
[M+K]+ 354.12414 173.8
[M+H-H2O]+ 298.15824 170.0
[M+HCOO]- 360.15918 199.0
[M+CH3COO]- 374.17483 211.5
[M+Na-2H]- 336.13565 185.2
[M]+ 315.16043 173.9
[M]- 315.16153 173.9
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.