CID 459049

5-(o-carbethoxyphenylazo)salicylic acid

Structural Information

Molecular Formula
C16H14N2O5
SMILES
CCOC(=O)C1=CC=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C16H14N2O5/c1-2-23-16(22)11-5-3-4-6-13(11)18-17-10-7-8-14(19)12(9-10)15(20)21/h3-9,19H,2H2,1H3,(H,20,21)
InChIKey
ASDLQRBRSCRBFQ-UHFFFAOYSA-N
Compound name
5-[(2-ethoxycarbonylphenyl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09027 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 169.1
[M+Na]+ 337.07949 175.5
[M-H]- 313.08299 176.2
[M+NH4]+ 332.12409 182.6
[M+K]+ 353.05343 173.7
[M+H-H2O]+ 297.08753 160.4
[M+HCOO]- 359.08847 194.3
[M+CH3COO]- 373.10412 210.3
[M+Na-2H]- 335.06494 172.5
[M]+ 314.08972 172.1
[M]- 314.09082 172.1
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.