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 188.6
[M+Na]+ 372.08292 198.2
[M-H]- 348.08642 196.0
[M+NH4]+ 367.12752 200.0
[M+K]+ 388.05686 188.6
[M+H-H2O]+ 332.09096 175.3
[M+HCOO]- 394.09190 210.5
[M+CH3COO]- 408.10755 224.9
[M+Na-2H]- 370.06837 195.0
[M]+ 349.09315 185.5
[M]- 349.09425 185.5
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.