CID 32029

23614-84-8

Structural Information

Molecular Formula
C18H14N2O4
SMILES
COC1=CC=C(C=C1)N=NC2=CC(=C(C3=CC=CC=C32)O)C(=O)O
InChI
InChI=1S/C18H14N2O4/c1-24-12-8-6-11(7-9-12)19-20-16-10-15(18(22)23)17(21)14-5-3-2-4-13(14)16/h2-10,21H,1H3,(H,22,23)
InChIKey
MWCBQCTYQAFFLW-UHFFFAOYSA-N
Compound name
1-hydroxy-4-[(4-methoxyphenyl)diazenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.102646 171.2
[M+Na]+ 345.084588 179.0
[M-H]- 321.088094 179.4
[M+NH4]+ 340.129193 185.6
[M+K]+ 361.058528 175.8
[M+H-H2O]+ 305.092630 162.3
[M+HCOO]- 367.093571 196.0
[M+CH3COO]- 381.109221 213.7
[M+Na-2H]- 343.070036 177.3
[M]+ 322.09482142 174.1
[M]- 322.09591858 174.1
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.