CID 390508

151391-92-3

Structural Information

Molecular Formula
C15H15NO5
SMILES
COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)O
InChI
InChI=1S/C15H15NO5/c1-21-15(20)12-4-2-10(7-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3
InChIKey
UKKCCABWWBKWOE-UHFFFAOYSA-N
Compound name
methyl 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

289.09503 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 163.5
[M+Na]+ 312.08425 170.6
[M-H]- 288.08775 167.0
[M+NH4]+ 307.12885 176.9
[M+K]+ 328.05819 167.2
[M+H-H2O]+ 272.09229 156.2
[M+HCOO]- 334.09323 184.2
[M+CH3COO]- 348.10888 197.8
[M+Na-2H]- 310.06970 166.1
[M]+ 289.09448 164.0
[M]- 289.09558 164.0
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.