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 232.0
[M+Na]+ 643.02342 233.5
[M-H]- 619.02692 236.7
[M+NH4]+ 638.06802 231.0
[M+K]+ 658.99736 228.4
[M+H-H2O]+ 603.03146 222.4
[M+HCOO]- 665.03240 236.8
[M+CH3COO]- 679.04805 260.4
[M+Na-2H]- 641.00887 246.1
[M]+ 620.03365 235.4
[M]- 620.03475 235.4
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.