CID 135755578

5858-42-4

Structural Information

Molecular Formula
C20H14N2O7S2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O7S2/c23-20-17-4-2-1-3-16(17)19(31(27,28)29)11-18(20)22-21-14-7-5-13-10-15(30(24,25)26)8-6-12(13)9-14/h1-11,23H,(H,24,25,26)(H,27,28,29)
InChIKey
UVCQENJLTDZMKH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.02423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.031506 199.7
[M+Na]+ 481.013448 208.4
[M-H]- 457.016954 206.3
[M+NH4]+ 476.058053 208.8
[M+K]+ 496.987388 203.0
[M+H-H2O]+ 441.021490 191.8
[M+HCOO]- 503.022431 211.4
[M+CH3COO]- 517.038081 229.3
[M+Na-2H]- 478.998896 210.9
[M]+ 458.02368142 206.7
[M]- 458.02477858 206.7
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.