CID 166155

Acid red 57

Structural Information

Molecular Formula
C24H22N4O6S2
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N
InChI
InChI=1S/C24H22N4O6S2/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24/h3-15,29H,2,25H2,1H3,(H,32,33,34)
InChIKey
RJZLMBIYRSBCDQ-UHFFFAOYSA-N
Compound name
6-amino-5-[[2-[ethyl(phenyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

312
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 214.6
[M+Na]+ 549.08732 224.5
[M+NH4]+ 544.13192 218.9
[M+K]+ 565.06126 216.7
[M-H]- 525.09082 220.2
[M+Na-2H]- 547.07277 223.6
[M]+ 526.09755 218.3
[M]- 526.09865 218.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe