CID 65707

22933-72-8

Structural Information

Molecular Formula
C18H15N5O6S
SMILES
COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C18H15N5O6S/c1-29-17-9-8-16(21-22-17)23-30(27,28)13-5-2-11(3-6-13)19-20-12-4-7-15(24)14(10-12)18(25)26/h2-10,24H,1H3,(H,21,23)(H,25,26)
InChIKey
YFUATOCFMCWUEH-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

185
Patents

429.0743 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.08158 195.0
[M+Na]+ 452.06352 201.6
[M-H]- 428.06702 202.7
[M+NH4]+ 447.10812 200.6
[M+K]+ 468.03746 197.5
[M+H-H2O]+ 412.07156 184.0
[M+HCOO]- 474.07250 213.6
[M+CH3COO]- 488.08815 230.2
[M+Na-2H]- 450.04897 201.4
[M]+ 429.07375 199.4
[M]- 429.07485 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe