CID 103261

63182-23-0

Structural Information

Molecular Formula
C17H15N3O7S2
SMILES
COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C17H15N3O7S2/c1-27-16-8-12(4-5-15(16)18)20-19-11-3-2-10-6-13(28(21,22)23)9-17(14(10)7-11)29(24,25)26/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)
InChIKey
SNWOLNBVIFEONT-UHFFFAOYSA-N
Compound name
7-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

437.03516 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.04244 194.5
[M+Na]+ 460.02438 203.6
[M+NH4]+ 455.06898 198.5
[M+K]+ 475.99832 197.1
[M-H]- 436.02788 196.5
[M+Na-2H]- 458.00983 200.1
[M]+ 437.03461 197.0
[M]- 437.03571 197.0
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