CID 163622

Einecs 275-630-4

Structural Information

Molecular Formula
C19H19N3O4S
SMILES
CC(C)NS(=O)(=O)C1=CC(=C(C=C1)O)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C19H19N3O4S/c1-12(2)22-27(25,26)14-8-10-17(23)16(11-14)20-21-19-15-6-4-3-5-13(15)7-9-18(19)24/h3-12,22-24H,1-2H3
InChIKey
SPYDQRJTGBNBEF-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

385.10962 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.116896 186.3
[M+Na]+ 408.098838 193.0
[M-H]- 384.102344 193.8
[M+NH4]+ 403.143443 198.2
[M+K]+ 424.072778 188.6
[M+H-H2O]+ 368.106880 177.7
[M+HCOO]- 430.107821 205.0
[M+CH3COO]- 444.123471 225.4
[M+Na-2H]- 406.084286 192.1
[M]+ 385.10907142 189.9
[M]- 385.11016858 189.9
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.