CID 109515

2-naphthalenesulfonic acid, 5-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-, sodium salt (1:1)

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)O
InChI
InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
InChIKey
COUYJSSQPKTVIQ-UHFFFAOYSA-N
Compound name
5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
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 183.4
[M+Na]+ 401.05662 193.4
[M-H]- 377.06012 192.5
[M+NH4]+ 396.10122 197.0
[M+K]+ 417.03056 187.7
[M+H-H2O]+ 361.06466 174.8
[M+HCOO]- 423.06560 203.0
[M+CH3COO]- 437.08125 194.6
[M+Na-2H]- 399.04207 193.2
[M]+ 378.06685 188.8
[M]- 378.06795 188.8
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