CID 2723801

477-73-6

Structural Information

Molecular Formula
C20H19N4
SMILES
CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17/h3-11H,1-2H3,(H3,21,22)/p+1
InChIKey
WULISCVZERSMML-UHFFFAOYSA-O
Compound name
3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

442
References

25217
Patents

315.16098 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16826 179.5
[M+Na]+ 338.15020 190.5
[M-H]- 314.15370 185.9
[M+NH4]+ 333.19480 192.6
[M+K]+ 354.12414 177.1
[M+H-H2O]+ 298.15824 171.9
[M+HCOO]- 360.15918 200.0
[M+CH3COO]- 374.17483 209.6
[M+Na-2H]- 336.13565 188.4
[M]+ 315.16043 178.5
[M]- 315.16153 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe