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]+ 316.168256 176.7
[M+Na]+ 338.150198 186.9
[M-H]- 314.153704 183.9
[M+NH4]+ 333.194803 190.6
[M+K]+ 354.124138 173.8
[M+H-H2O]+ 298.158240 170.0
[M+HCOO]- 360.159181 199.0
[M+CH3COO]- 374.174831 211.5
[M+Na-2H]- 336.135646 185.2
[M]+ 315.16043142 173.9
[M]- 315.16152858 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.