CID 3014396

5858-92-4

Structural Information

Molecular Formula
C23H19N3O5S2
SMILES
CC1=C(C=C(C=C1)N=NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)S(=O)(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H19N3O5S2/c1-16-10-11-19(15-23(16)32(27,28)26-18-7-3-2-4-8-18)24-25-22-9-5-6-17-14-20(33(29,30)31)12-13-21(17)22/h2-15,26H,1H3,(H,29,30,31)
InChIKey
AJEWKCZZRSXCIQ-UHFFFAOYSA-N
Compound name
5-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.0766 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.083876 210.1
[M+Na]+ 504.065818 217.1
[M-H]- 480.069324 220.6
[M+NH4]+ 499.110423 218.0
[M+K]+ 520.039758 210.6
[M+H-H2O]+ 464.073860 200.2
[M+HCOO]- 526.074801 224.7
[M+CH3COO]- 540.090451 239.6
[M+Na-2H]- 502.051266 219.2
[M]+ 481.07605142 214.6
[M]- 481.07714858 214.6
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.