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 186.3
[M+Na]+ 408.09884 193.0
[M-H]- 384.10234 193.8
[M+NH4]+ 403.14344 198.2
[M+K]+ 424.07278 188.6
[M+H-H2O]+ 368.10688 177.7
[M+HCOO]- 430.10782 205.0
[M+CH3COO]- 444.12347 225.4
[M+Na-2H]- 406.08429 192.1
[M]+ 385.10907 189.9
[M]- 385.11017 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.