CID 15454

18268-54-7

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O)O
InChI
InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)
InChIKey
JSAKRLDIZOGQTN-UHFFFAOYSA-N
Compound name
4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

4370
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

literature stripe

Patent stripe

patents stripe