CID 212885

Methyl 4',6-dihydroxyisophthalanilate

Structural Information

Molecular Formula
C15H13NO5
SMILES
COC(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H13NO5/c1-21-15(20)12-8-9(2-7-13(12)18)14(19)16-10-3-5-11(17)6-4-10/h2-8,17-18H,1H3,(H,16,19)
InChIKey
MKVRAKQWRAGPSH-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-5-[(4-hydroxyphenyl)carbamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 164.1
[M+Na]+ 310.06860 175.5
[M+NH4]+ 305.11320 169.6
[M+K]+ 326.04254 171.3
[M-H]- 286.07210 166.1
[M+Na-2H]- 308.05405 170.1
[M]+ 287.07883 165.9
[M]- 287.07993 165.9
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.