CID 22137

Acid red 4

Structural Information

Molecular Formula
C17H14N2O5S
SMILES
COC1=CC=CC=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C17H14N2O5S/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20/h2-10,20H,1H3,(H,21,22,23)
InChIKey
JRLHFEXLBNGRJO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2495
Patents

358.06235 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06963 178.0
[M+Na]+ 381.05157 186.7
[M-H]- 357.05507 186.1
[M+NH4]+ 376.09617 191.5
[M+K]+ 397.02551 182.7
[M+H-H2O]+ 341.05961 169.7
[M+HCOO]- 403.06055 197.7
[M+CH3COO]- 417.07620 215.5
[M+Na-2H]- 379.03702 185.1
[M]+ 358.06180 183.6
[M]- 358.06290 183.6
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