CID 19098

25747-05-1

Structural Information

Molecular Formula
C20H14N2O5S
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O
InChI
InChI=1S/C20H14N2O5S/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24/h1-11,23-24H,(H,25,26,27)
InChIKey
BRDGZOLJYALNOY-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

362
Patents

394.06235 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06963 187.1
[M+Na]+ 417.05157 202.0
[M+NH4]+ 412.09617 194.3
[M+K]+ 433.02551 193.2
[M-H]- 393.05507 192.2
[M+Na-2H]- 415.03702 195.8
[M]+ 394.06180 191.3
[M]- 394.06290 191.3
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