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

literature stripe

Patent stripe

patents stripe