CID 481134

4-[(e)-(3-hydroxy-2-naphthyl)azo]-n-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C19H15N5O3S2
SMILES
CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C19H15N5O3S2/c1-12-20-23-19(28-12)24-29(26,27)16-8-6-15(7-9-16)21-22-17-10-13-4-2-3-5-14(13)11-18(17)25/h2-11,25H,1H3,(H,23,24)
InChIKey
AKZVSPDQPIUZPY-UHFFFAOYSA-N
Compound name
4-[(3-hydroxynaphthalen-2-yl)diazenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.06165 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.06893 195.8
[M+Na]+ 448.05087 206.5
[M-H]- 424.05437 205.9
[M+NH4]+ 443.09547 206.4
[M+K]+ 464.02481 199.1
[M+H-H2O]+ 408.05891 187.1
[M+HCOO]- 470.05985 212.8
[M+CH3COO]- 484.07550 206.0
[M+Na-2H]- 446.03632 202.9
[M]+ 425.06110 202.0
[M]- 425.06220 202.0
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.