CID 136086373

74082-21-6

Structural Information

Molecular Formula
C20H18N2O5S
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N=NC3=CC=C(C=C3)CCOS(=O)(=O)O
InChI
InChI=1S/C20H18N2O5S/c23-20-11-8-17(16-4-2-1-3-5-16)14-19(20)22-21-18-9-6-15(7-10-18)12-13-27-28(24,25)26/h1-11,14,23H,12-13H2,(H,24,25,26)
InChIKey
XVFDMCBPWWNSRO-UHFFFAOYSA-N
Compound name
2-[4-[(2-hydroxy-5-phenylphenyl)diazenyl]phenyl]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.09363 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10091 190.9
[M+Na]+ 421.08285 197.5
[M-H]- 397.08635 200.6
[M+NH4]+ 416.12745 201.1
[M+K]+ 437.05679 192.6
[M+H-H2O]+ 381.09089 181.0
[M+HCOO]- 443.09183 211.3
[M+CH3COO]- 457.10748 221.4
[M+Na-2H]- 419.06830 196.2
[M]+ 398.09308 195.4
[M]- 398.09418 195.4
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.