CID 106003

Einecs 267-614-0

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=CC=CC=C4C=C3S(=O)(=O)O)O
InChI
InChI=1S/C20H14N2O4S/c23-18-10-9-13-5-3-4-8-16(13)20(18)22-21-17-11-14-6-1-2-7-15(14)12-19(17)27(24,25)26/h1-12,23H,(H,24,25,26)
InChIKey
SMDUOTYSYQSLLE-UHFFFAOYSA-N
Compound name
3-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

378.0674 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07468 183.6
[M+Na]+ 401.05662 199.2
[M+NH4]+ 396.10122 191.7
[M+K]+ 417.03056 189.3
[M-H]- 377.06012 189.6
[M+Na-2H]- 399.04207 193.5
[M]+ 378.06685 188.1
[M]- 378.06795 188.1
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