CID 459050

2-[(e)-(2-hydroxy-3-methoxycarbonyl-1-naphthyl)azo]benzoic acid

Structural Information

Molecular Formula
C19H14N2O5
SMILES
COC(=O)C1=CC2=CC=CC=C2C(=C1O)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H14N2O5/c1-26-19(25)14-10-11-6-2-3-7-12(11)16(17(14)22)21-20-15-9-5-4-8-13(15)18(23)24/h2-10,22H,1H3,(H,23,24)
InChIKey
KQPTVMPEKDTAAT-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09027 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09755 177.7
[M+Na]+ 373.07949 184.8
[M-H]- 349.08299 185.8
[M+NH4]+ 368.12409 190.7
[M+K]+ 389.05343 182.2
[M+H-H2O]+ 333.08753 168.6
[M+HCOO]- 395.08847 201.5
[M+CH3COO]- 409.10412 218.6
[M+Na-2H]- 371.06494 182.3
[M]+ 350.08972 181.0
[M]- 350.09082 181.0
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.