CID 136086438

74398-74-6

Structural Information

Molecular Formula
C24H22N4O6S2
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)O
InChI
InChI=1S/C24H22N4O6S2/c1-2-28(18-8-4-3-5-9-18)35(30,31)21-11-7-6-10-20(21)26-27-23-22(36(32,33)34)14-16-12-13-17(25)15-19(16)24(23)29/h3-15,29H,2,25H2,1H3,(H,32,33,34)
InChIKey
KOLGDAIMAWZNGX-UHFFFAOYSA-N
Compound name
6-amino-3-[[2-[ethyl(phenyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.0981 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.10538 218.1
[M+Na]+ 549.08732 223.1
[M-H]- 525.09082 227.6
[M+NH4]+ 544.13192 223.3
[M+K]+ 565.06126 218.1
[M+H-H2O]+ 509.09536 207.8
[M+HCOO]- 571.09630 231.4
[M+CH3COO]- 585.11195 251.8
[M+Na-2H]- 547.07277 226.3
[M]+ 526.09755 222.4
[M]- 526.09865 222.4
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.