CID 473360

4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1=CC(=CC=C1C(=O)O)NCC2=C(C=CC(=C2)O)O
InChI
InChI=1S/C14H13NO4/c16-12-5-6-13(17)10(7-12)8-15-11-3-1-9(2-4-11)14(18)19/h1-7,15-17H,8H2,(H,18,19)
InChIKey
SQSOZLKKUXKFJQ-UHFFFAOYSA-N
Compound name
4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

129
Patents

259.08447 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 156.0
[M+Na]+ 282.07369 162.8
[M-H]- 258.07719 159.3
[M+NH4]+ 277.11829 170.3
[M+K]+ 298.04763 158.7
[M+H-H2O]+ 242.08173 149.0
[M+HCOO]- 304.08267 176.8
[M+CH3COO]- 318.09832 191.8
[M+Na-2H]- 280.05914 159.7
[M]+ 259.08392 154.4
[M]- 259.08502 154.4
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.