CID 3016773

68422-67-3

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
CC1=C(C(=CC=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)C
InChI
InChI=1S/C18H16N2O4S/c1-11-4-3-5-16(12(11)2)19-20-18-15-8-7-14(25(22,23)24)10-13(15)6-9-17(18)21/h3-10,21H,1-2H3,(H,22,23,24)
InChIKey
MLMFAEPOVLONHC-UHFFFAOYSA-N
Compound name
5-[(2,3-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.08307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09035 179.8
[M+Na]+ 379.07229 189.3
[M-H]- 355.07579 188.2
[M+NH4]+ 374.11689 193.8
[M+K]+ 395.04623 184.4
[M+H-H2O]+ 339.08033 171.8
[M+HCOO]- 401.08127 199.0
[M+CH3COO]- 415.09692 217.5
[M+Na-2H]- 377.05774 185.5
[M]+ 356.08252 184.8
[M]- 356.08362 184.8
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.