CID 473553

3-hydroxy-4-[(e)-(7-hydroxy-1-naphthyl)azo]naphthalene-1-sulfonic acid

Structural Information

Molecular Formula
C20H14N2O5S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N=NC3=CC=CC4=C3C=C(C=C4)O)O)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O5S/c23-13-9-8-12-4-3-7-17(16(12)10-13)21-22-20-15-6-2-1-5-14(15)19(11-18(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)
InChIKey
CVXMHYGHZQEINK-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(7-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 186.2
[M+Na]+ 417.05157 196.1
[M-H]- 393.05507 194.2
[M+NH4]+ 412.09617 198.5
[M+K]+ 433.02551 190.7
[M+H-H2O]+ 377.05961 177.8
[M+HCOO]- 439.06055 204.4
[M+CH3COO]- 453.07620 221.5
[M+Na-2H]- 415.03702 195.4
[M]+ 394.06180 191.7
[M]- 394.06290 191.7
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.