CID 360168

Nsc622100

Structural Information

Molecular Formula
C12H11N3O4S
SMILES
CC1=NC(=C(C=C1)O)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C12H11N3O4S/c1-8-2-7-11(16)12(13-8)15-14-9-3-5-10(6-4-9)20(17,18)19/h2-7,16H,1H3,(H,17,18,19)
InChIKey
HTHFFKJFEVLJQX-UHFFFAOYSA-N
Compound name
4-[(3-hydroxy-6-methylpyridin-2-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.04703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05431 162.4
[M+Na]+ 316.03625 171.6
[M-H]- 292.03975 168.8
[M+NH4]+ 311.08085 176.3
[M+K]+ 332.01019 167.6
[M+H-H2O]+ 276.04429 154.2
[M+HCOO]- 338.04523 182.6
[M+CH3COO]- 352.06088 201.8
[M+Na-2H]- 314.02170 168.6
[M]+ 293.04648 166.0
[M]- 293.04758 166.0
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