CID 135482788

54291-12-2

Structural Information

Molecular Formula
C22H18N6O7S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)N)N)O
InChI
InChI=1S/C22H18N6O7S2/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35)
InChIKey
GBUZSOVDCZSPKS-UHFFFAOYSA-N
Compound name
4-amino-3-[(4-aminophenyl)diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

74
Patents

542.0678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.07508 215.8
[M+Na]+ 565.05702 223.7
[M+NH4]+ 560.10162 218.5
[M+K]+ 581.03096 217.5
[M-H]- 541.06052 221.2
[M+Na-2H]- 563.04247 223.6
[M]+ 542.06725 218.8
[M]- 542.06835 218.8
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.