CID 176221

68109-58-0

Structural Information

Molecular Formula
C30H24N4O8S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)S(=O)(=O)O)S(=O)(=O)O)C)N=NC5=CC=C(C=C5)O
InChI
InChI=1S/C30H24N4O8S2/c1-17-13-19(3-11-26(17)32-31-22-5-7-23(35)8-6-22)20-4-12-27(18(2)14-20)33-34-29-28(44(40,41)42)16-21-15-24(43(37,38)39)9-10-25(21)30(29)36/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42)
InChIKey
NULHRZPRJXQYEF-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.1036 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.11088 244.1
[M+Na]+ 655.09282 249.1
[M-H]- 631.09632 255.8
[M+NH4]+ 650.13742 244.4
[M+K]+ 671.06676 244.7
[M+H-H2O]+ 615.10086 232.1
[M+HCOO]- 677.10180 256.7
[M+CH3COO]- 691.11745 271.4
[M+Na-2H]- 653.07827 252.7
[M]+ 632.10305 250.6
[M]- 632.10415 250.6
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.