CID 4447638

Dtxsid901037653

Structural Information

Molecular Formula
C19H18N6O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)N)C(=O)O)C
InChI
InChI=1S/C19H18N6O4S/c1-11-9-12(2)22-19(21-11)25-30(28,29)15-6-3-13(4-7-15)23-24-14-5-8-17(20)16(10-14)18(26)27/h3-10H,20H2,1-2H3,(H,26,27)(H,21,22,25)
InChIKey
AOQOBVSQDBQULZ-UHFFFAOYSA-N
Compound name
2-amino-5-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.11102 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11830 199.0
[M+Na]+ 449.10024 206.3
[M-H]- 425.10374 207.8
[M+NH4]+ 444.14484 205.4
[M+K]+ 465.07418 201.1
[M+H-H2O]+ 409.10828 187.9
[M+HCOO]- 471.10922 218.7
[M+CH3COO]- 485.12487 236.9
[M+Na-2H]- 447.08569 203.7
[M]+ 426.11047 201.7
[M]- 426.11157 201.7
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.