CID 44151722

72361-38-7

Structural Information

Molecular Formula
C30H24N4O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)O
InChI
InChI=1S/C30H24N4O6S2/c1-20-10-13-23(14-11-20)42(38,39)40-30-17-12-21(2)18-29(30)34-33-28-16-15-27(25-8-3-4-9-26(25)28)32-31-22-6-5-7-24(19-22)41(35,36)37/h3-19H,1-2H3,(H,35,36,37)
InChIKey
FZMPGCNHSMCQAF-UHFFFAOYSA-N
Compound name
3-[[4-[[5-methyl-2-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.1137 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.12098 242.0
[M+Na]+ 623.10292 248.0
[M-H]- 599.10642 257.1
[M+NH4]+ 618.14752 245.4
[M+K]+ 639.07686 242.8
[M+H-H2O]+ 583.11096 229.0
[M+HCOO]- 645.11190 259.0
[M+CH3COO]- 659.12755 267.9
[M+Na-2H]- 621.08837 251.4
[M]+ 600.11315 249.5
[M]- 600.11425 249.5
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.