CID 110033

68310-69-0

Structural Information

Molecular Formula
C20H15N3O6S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N)S(=O)(=O)O
InChI
InChI=1S/C20H15N3O6S2/c21-17-7-8-19(16-11-12(30(24,25)26)5-6-13(16)17)23-22-18-9-10-20(31(27,28)29)15-4-2-1-3-14(15)18/h1-11H,21H2,(H,24,25,26)(H,27,28,29)
InChIKey
AYPFOXHDSVMQSC-UHFFFAOYSA-N
Compound name
5-amino-8-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.04022 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.04750 200.1
[M+Na]+ 480.02944 208.7
[M-H]- 456.03294 207.2
[M+NH4]+ 475.07404 209.4
[M+K]+ 496.00338 202.8
[M+H-H2O]+ 440.03748 191.7
[M+HCOO]- 502.03842 213.2
[M+CH3COO]- 516.05407 233.8
[M+Na-2H]- 478.01489 211.1
[M]+ 457.03967 205.7
[M]- 457.04077 205.7
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.