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

1
Patents

460.1205 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.12778 208.4
[M+Na]+ 483.10972 216.4
[M-H]- 459.11322 221.7
[M+NH4]+ 478.15432 218.1
[M+K]+ 499.08366 211.5
[M+H-H2O]+ 443.11776 197.1
[M+HCOO]- 505.11870 231.5
[M+CH3COO]- 519.13435 246.2
[M+Na-2H]- 481.09517 215.3
[M]+ 460.11995 214.2
[M]- 460.12105 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