CID 105328

66214-42-4

Structural Information

Molecular Formula
C17H13N3O6S
SMILES
C1=CC=C(C(=C1)C(=O)O)N=NC2=C(C=C3C=CC(=CC3=C2O)N)S(=O)(=O)O
InChI
InChI=1S/C17H13N3O6S/c18-10-6-5-9-7-14(27(24,25)26)15(16(21)12(9)8-10)20-19-13-4-2-1-3-11(13)17(22)23/h1-8,21H,18H2,(H,22,23)(H,24,25,26)
InChIKey
LMNNNKFIURSGQL-UHFFFAOYSA-N
Compound name
2-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

387.05252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05980 183.8
[M+Na]+ 410.04174 193.8
[M+NH4]+ 405.08634 188.3
[M+K]+ 426.01568 188.6
[M-H]- 386.04524 186.5
[M+Na-2H]- 408.02719 189.3
[M]+ 387.05197 186.0
[M]- 387.05307 186.0
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

patents stripe