CID 160330

96293-51-5

Structural Information

Molecular Formula
C17H14N2O7S2
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C17H14N2O7S2/c1-10-2-6-14(16(8-10)28(24,25)26)18-19-17-13-5-4-12(27(21,22)23)9-11(13)3-7-15(17)20/h2-9,20H,1H3,(H,21,22,23)(H,24,25,26)
InChIKey
WJDYXZYEMINRMY-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

422.02423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.03151 191.5
[M+Na]+ 445.01345 199.3
[M-H]- 421.01695 197.2
[M+NH4]+ 440.05805 201.2
[M+K]+ 460.98739 194.1
[M+H-H2O]+ 405.02149 183.8
[M+HCOO]- 467.02243 203.0
[M+CH3COO]- 481.03808 222.7
[M+Na-2H]- 442.99890 199.1
[M]+ 422.02368 197.0
[M]- 422.02478 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