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
2
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]+ 324.064876 168.7
[M+Na]+ 346.046818 176.9
[M-H]- 322.050324 175.8
[M+NH4]+ 341.091423 182.1
[M+K]+ 362.020758 173.4
[M+H-H2O]+ 306.054860 160.5
[M+HCOO]- 368.055801 190.2
[M+CH3COO]- 382.071451 210.6
[M+Na-2H]- 344.032266 173.6
[M]+ 323.05705142 172.2
[M]- 323.05814858 172.2
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.