CID 110168

Einecs 270-020-4

Structural Information

Molecular Formula
C18H13N4O4
SMILES
COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=C(C=C3)O)C(=O)O)[N+]#N
InChI
InChI=1S/C18H12N4O4/c1-26-16-9-14(11-4-2-3-5-12(11)17(16)20-19)22-21-10-6-7-15(23)13(8-10)18(24)25/h2-9H,1H3,(H-,22,23,24,25)/p+1
InChIKey
HKRLXELSQOADTB-UHFFFAOYSA-O
Compound name
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-methoxynaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0937 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10098 183.2
[M+Na]+ 372.08292 197.0
[M+NH4]+ 367.12752 187.3
[M+K]+ 388.05686 187.8
[M-H]- 348.08642 182.5
[M+Na-2H]- 370.06837 188.4
[M]+ 349.09315 184.3
[M]- 349.09425 184.3
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.