CID 457417

65862-10-4

Structural Information

Molecular Formula
C18H14N2O4
SMILES
CC1=C(C2=CC=CC=C2C(=C1O)N=NC3=CC=C(C=C3)C(=O)O)O
InChI
InChI=1S/C18H14N2O4/c1-10-16(21)14-5-3-2-4-13(14)15(17(10)22)20-19-12-8-6-11(7-9-12)18(23)24/h2-9,21-22H,1H3,(H,23,24)
InChIKey
CBQIOAPOJGOBAK-UHFFFAOYSA-N
Compound name
4-[(2,4-dihydroxy-3-methylnaphthalen-1-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.6
[M+Na]+ 345.08459 180.0
[M-H]- 321.08809 178.9
[M+NH4]+ 340.12919 185.7
[M+K]+ 361.05853 176.0
[M+H-H2O]+ 305.09263 163.3
[M+HCOO]- 367.09357 194.9
[M+CH3COO]- 381.10922 212.8
[M+Na-2H]- 343.07004 176.6
[M]+ 322.09482 173.2
[M]- 322.09592 173.2
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

No patent data available for this compound.