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]+ 386.11690 187.1
[M+Na]+ 408.09884 198.3
[M+NH4]+ 403.14344 193.3
[M+K]+ 424.07278 190.8
[M-H]- 384.10234 191.6
[M+Na-2H]- 406.08429 194.4
[M]+ 385.10907 190.3
[M]- 385.11017 190.3
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.