CID 135421975

Quinazol yellow

Structural Information

Molecular Formula
C15H11N3O5S
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)N=NC3=CC=C(C=C3)S(=O)(=O)O)O
InChI
InChI=1S/C15H11N3O5S/c19-14-11-3-1-2-4-12(11)16-15(20)13(14)18-17-9-5-7-10(8-6-9)24(21,22)23/h1-8H,(H2,16,19,20)(H,21,22,23)
InChIKey
QWPZKCFYQWWZCS-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.04193 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04921 173.3
[M+Na]+ 368.03115 182.8
[M-H]- 344.03465 179.1
[M+NH4]+ 363.07575 185.2
[M+K]+ 384.00509 177.4
[M+H-H2O]+ 328.03919 165.2
[M+HCOO]- 390.04013 191.1
[M+CH3COO]- 404.05578 209.6
[M+Na-2H]- 366.01660 181.2
[M]+ 345.04138 176.2
[M]- 345.04248 176.2
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.