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
1
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]+ 435.21660 210.3
[M+Na]+ 457.19854 219.7
[M-H]- 433.20204 221.5
[M+NH4]+ 452.24314 218.1
[M+K]+ 473.17248 206.3
[M+H-H2O]+ 417.20658 199.6
[M+HCOO]- 479.20752 234.8
[M+CH3COO]- 493.22317 218.9
[M+Na-2H]- 455.18399 219.2
[M]+ 434.20877 209.5
[M]- 434.20987 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