CID 83397

13390-46-0

Structural Information

Molecular Formula
C24H20N4O10S3
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NS(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C24H20N4O10S3/c1-14(29)25-16-7-9-17(10-8-16)26-27-23-21(41(36,37)38)12-15-11-19(40(33,34)35)13-20(22(15)24(23)30)28-39(31,32)18-5-3-2-4-6-18/h2-13,28,30H,1H3,(H,25,29)(H,33,34,35)(H,36,37,38)
InChIKey
WHDLYCJQRSIUNI-UHFFFAOYSA-N
Compound name
3-[(4-acetamidophenyl)diazenyl]-5-(benzenesulfonamido)-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.0342 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.04148 225.7
[M+Na]+ 643.02342 231.6
[M+NH4]+ 638.06802 226.3
[M+K]+ 658.99736 226.1
[M-H]- 619.02692 227.2
[M+Na-2H]- 641.00887 232.5
[M]+ 620.03365 227.7
[M]- 620.03475 227.7
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.