CID 116820

70703-34-3

Structural Information

Molecular Formula
C22H16N2O6S
SMILES
C1=CC=C2C(=C1)C=CC(=C2CS(=O)(=O)O)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O
InChI
InChI=1S/C22H16N2O6S/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30/h1-11,25H,12H2,(H,26,27)(H,28,29,30)
InChIKey
UFACMPQCFVIAMT-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[1-(sulfomethyl)naphthalen-2-yl]diazenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0729 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08018 196.7
[M+Na]+ 459.06212 204.9
[M-H]- 435.06562 204.2
[M+NH4]+ 454.10672 206.8
[M+K]+ 475.03606 200.2
[M+H-H2O]+ 419.07016 187.9
[M+HCOO]- 481.07110 213.4
[M+CH3COO]- 495.08675 229.9
[M+Na-2H]- 457.04757 204.4
[M]+ 436.07235 202.9
[M]- 436.07345 202.9
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.