CID 515019

Chembl128090

Structural Information

Molecular Formula
C20H16N4O3S2
SMILES
CC1=CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C20H16N4O3S2/c1-13-12-21-20(28-13)24-29(26,27)17-8-6-16(7-9-17)22-23-18-10-14-4-2-3-5-15(14)11-19(18)25/h2-12,25H,1H3,(H,21,24)
InChIKey
IOYBPHQEXJWXQK-UHFFFAOYSA-N
Compound name
4-[(3-hydroxynaphthalen-2-yl)diazenyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.06638 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.07366 196.5
[M+Na]+ 447.05560 206.7
[M-H]- 423.05910 207.7
[M+NH4]+ 442.10020 208.5
[M+K]+ 463.02954 199.5
[M+H-H2O]+ 407.06364 188.1
[M+HCOO]- 469.06458 214.4
[M+CH3COO]- 483.08023 207.0
[M+Na-2H]- 445.04105 203.1
[M]+ 424.06583 202.7
[M]- 424.06693 202.7
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.