CID 3021012

85895-92-7

Structural Information

Molecular Formula
C13H13N3O5S
SMILES
COC1=C(C=CC(=C1)N)N=NC2=C(C=CC(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C13H13N3O5S/c1-21-13-6-8(14)2-4-10(13)15-16-11-7-9(22(18,19)20)3-5-12(11)17/h2-7,17H,14H2,1H3,(H,18,19,20)
InChIKey
LTGCMYGQTCMNDC-UHFFFAOYSA-N
Compound name
3-[(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0576 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06488 170.4
[M+Na]+ 346.04682 180.4
[M+NH4]+ 341.09142 175.7
[M+K]+ 362.02076 174.7
[M-H]- 322.05032 173.4
[M+Na-2H]- 344.03227 176.7
[M]+ 323.05705 172.8
[M]- 323.05815 172.8
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.