CID 413229

1-naphthalenesulfonic acid, 4-hydroxy-3-(2-(2-methyl-4-(2-(2-methylphenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:1)

Structural Information

Molecular Formula
C24H20N4O4S
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)O)C
InChI
InChI=1S/C24H20N4O4S/c1-15-7-3-6-10-20(15)26-25-17-11-12-21(16(2)13-17)27-28-22-14-23(33(30,31)32)18-8-4-5-9-19(18)24(22)29/h3-14,29H,1-2H3,(H,30,31,32)
InChIKey
MKDRTMKLHORKSV-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

460.1205 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.127776 208.4
[M+Na]+ 483.109718 216.4
[M-H]- 459.113224 221.7
[M+NH4]+ 478.154323 218.1
[M+K]+ 499.083658 211.5
[M+H-H2O]+ 443.117760 197.1
[M+HCOO]- 505.118701 231.5
[M+CH3COO]- 519.134351 246.2
[M+Na-2H]- 481.095166 215.3
[M]+ 460.11995142 214.2
[M]- 460.12104858 214.2
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

patents stripe