CID 112442

70632-11-0

Structural Information

Molecular Formula
C26H24N7
SMILES
CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N=NC4=C(C=C(C=C4)N)N)C5=CC=CC=C5
InChI
InChI=1S/C26H23N7/c1-15-10-23-25(13-19(15)28)33(18-6-4-3-5-7-18)26-14-22(16(2)11-24(26)30-23)32-31-21-9-8-17(27)12-20(21)29/h3-14H,1-2H3,(H5,27,28,29,32)/p+1
InChIKey
PUIIAIZMQYKRKD-UHFFFAOYSA-O
Compound name
4-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

434.20932 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.216596 210.3
[M+Na]+ 457.198538 219.7
[M-H]- 433.202044 221.5
[M+NH4]+ 452.243143 218.1
[M+K]+ 473.172478 206.3
[M+H-H2O]+ 417.206580 199.6
[M+HCOO]- 479.207521 234.8
[M+CH3COO]- 493.223171 218.9
[M+Na-2H]- 455.183986 219.2
[M]+ 434.20877142 209.5
[M]- 434.20986858 209.5
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

patents stripe