CID 25093729

Hydroxyphenyl dihydroxybenzamide

Structural Information

Molecular Formula
C13H11NO4
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C13H11NO4/c15-10-3-1-9(2-4-10)14-13(18)8-5-11(16)7-12(17)6-8/h1-7,15-17H,(H,14,18)
InChIKey
JMFHJQBJQSFWGM-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-N-(4-hydroxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

245.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 151.7
[M+Na]+ 268.058018 159.1
[M-H]- 244.061524 155.3
[M+NH4]+ 263.102623 166.7
[M+K]+ 284.031958 155.2
[M+H-H2O]+ 228.066060 145.0
[M+HCOO]- 290.067001 173.0
[M+CH3COO]- 304.082651 188.2
[M+Na-2H]- 266.043466 156.0
[M]+ 245.06825142 149.7
[M]- 245.06934858 149.7
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