CID 163398

83864-26-0

Structural Information

Molecular Formula
C18H14N2O6S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O
InChI
InChI=1S/C18H14N2O6S/c1-10-8-12(27(24,25)26)6-7-15(10)19-20-16-13-5-3-2-4-11(13)9-14(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)
InChIKey
GJTLBBXZKCKTAT-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.05725 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06453 184.9
[M+Na]+ 409.04647 196.4
[M+NH4]+ 404.09107 190.0
[M+K]+ 425.02041 190.2
[M-H]- 385.04997 187.5
[M+Na-2H]- 407.03192 190.9
[M]+ 386.05670 187.5
[M]- 386.05780 187.5
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.