CID 29647

19526-81-9

Structural Information

Molecular Formula
C18H16N2O10S3
SMILES
C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)O
InChI
InChI=1S/C18H16N2O10S3/c21-18-15-5-2-6-17(32(24,25)26)14(15)7-8-16(18)20-19-12-3-1-4-13(11-12)31(22,23)10-9-30-33(27,28)29/h1-8,11,21H,9-10H2,(H,24,25,26)(H,27,28,29)
InChIKey
WMRDKLIKSFCORD-UHFFFAOYSA-N
Compound name
5-hydroxy-6-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

515.9967 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.00398 208.7
[M+Na]+ 538.98592 215.2
[M+NH4]+ 534.03052 210.5
[M+K]+ 554.95986 209.1
[M-H]- 514.98942 207.5
[M+Na-2H]- 536.97137 212.8
[M]+ 515.99615 210.2
[M]- 515.99725 210.2
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.