CID 11164496

Qpxaruuezqdagk-uhfffaoysa-n

Structural Information

Molecular Formula
C15H17N3O6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)O)N=NC2=CC(=C(C=C2N)OC)OC
InChI
InChI=1S/C15H17N3O6S/c1-22-13-5-4-9(25(19,20)21)6-12(13)18-17-11-8-15(24-3)14(23-2)7-10(11)16/h4-8H,16H2,1-3H3,(H,19,20,21)
InChIKey
QPXARUUEZQDAGK-UHFFFAOYSA-N
Compound name
3-[(2-amino-4,5-dimethoxyphenyl)diazenyl]-4-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0838 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.091076 180.5
[M+Na]+ 390.073018 188.6
[M-H]- 366.076524 188.8
[M+NH4]+ 385.117623 192.9
[M+K]+ 406.046958 186.3
[M+H-H2O]+ 350.081060 171.4
[M+HCOO]- 412.082001 202.8
[M+CH3COO]- 426.097651 222.4
[M+Na-2H]- 388.058466 184.4
[M]+ 367.08325142 188.1
[M]- 367.08434858 188.1
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.