CID 230879

Nsc26252

Structural Information

Molecular Formula
C26H22N8O6S
SMILES
CC1=C(C=CC=C1S(=O)(=O)O)N=NC2=C(C=C(C(=C2)N=NC3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)N)N
InChI
InChI=1S/C26H22N8O6S/c1-14-21(3-2-4-25(14)41(38,39)40)32-34-23-13-22(19(27)12-20(23)28)33-30-16-7-5-15(6-8-16)29-31-17-9-10-24(35)18(11-17)26(36)37/h2-13,35H,27-28H2,1H3,(H,36,37)(H,38,39,40)
InChIKey
BFOIOBIKWZUYAS-UHFFFAOYSA-N
Compound name
5-[[4-[[2,4-diamino-5-[(2-methyl-3-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.1383 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.14558 232.6
[M+Na]+ 597.12752 236.9
[M-H]- 573.13102 247.7
[M+NH4]+ 592.17212 234.7
[M+K]+ 613.10146 234.7
[M+H-H2O]+ 557.13556 218.7
[M+HCOO]- 619.13650 259.0
[M+CH3COO]- 633.15215 279.3
[M+Na-2H]- 595.11297 238.3
[M]+ 574.13775 235.8
[M]- 574.13885 235.8
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.