CID 3021010

85895-89-2

Structural Information

Molecular Formula
C14H15N3O6S
SMILES
COC1=CC(=C(C=C1N)OC)N=NC2=C(C=CC(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C14H15N3O6S/c1-22-13-7-11(14(23-2)6-9(13)15)17-16-10-5-8(24(19,20)21)3-4-12(10)18/h3-7,18H,15H2,1-2H3,(H,19,20,21)
InChIKey
VASPCVYVNSSNGS-UHFFFAOYSA-N
Compound name
3-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

353.06815 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07543 176.0
[M+Na]+ 376.05737 184.0
[M-H]- 352.06087 183.1
[M+NH4]+ 371.10197 188.2
[M+K]+ 392.03131 181.2
[M+H-H2O]+ 336.06541 167.4
[M+HCOO]- 398.06635 197.1
[M+CH3COO]- 412.08200 217.4
[M+Na-2H]- 374.04282 180.0
[M]+ 353.06760 181.5
[M]- 353.06870 181.5
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