CID 4602

Osalmid

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O
InChI
InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
InChIKey
LGCMKPRGGJRYGM-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(4-hydroxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

2267
Patents

229.0739 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.5
[M+Na]+ 252.06312 155.6
[M-H]- 228.06662 153.1
[M+NH4]+ 247.10772 164.7
[M+K]+ 268.03706 151.8
[M+H-H2O]+ 212.07116 141.6
[M+HCOO]- 274.07210 171.1
[M+CH3COO]- 288.08775 186.9
[M+Na-2H]- 250.04857 154.0
[M]+ 229.07335 146.5
[M]- 229.07445 146.5
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