CID 134663

Dtxsid10890676

Structural Information

Molecular Formula
C20H18N2O6S
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N=NC3=CC=C(C=C3)OCCOS(=O)(=O)O
InChI
InChI=1S/C20H18N2O6S/c23-20-11-6-16(15-4-2-1-3-5-15)14-19(20)22-21-17-7-9-18(10-8-17)27-12-13-28-29(24,25)26/h1-11,14,23H,12-13H2,(H,24,25,26)
InChIKey
DUIKFSGXLFVAMD-UHFFFAOYSA-N
Compound name
2-[4-[(2-hydroxy-5-phenylphenyl)diazenyl]phenoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

414.08856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.09584 193.5
[M+Na]+ 437.07778 199.7
[M-H]- 413.08128 203.1
[M+NH4]+ 432.12238 202.8
[M+K]+ 453.05172 195.6
[M+H-H2O]+ 397.08582 183.2
[M+HCOO]- 459.08676 214.0
[M+CH3COO]- 473.10241 223.6
[M+Na-2H]- 435.06323 199.1
[M]+ 414.08801 199.3
[M]- 414.08911 199.3
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

patents stripe