CID 100980634

N-benzyl-2,5-dihydroxybenzamide

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)O)O

InChI

InChI=1S/C14H13NO3/c16-11-6-7-13(17)12(8-11)14(18)15-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2,(H,15,18)

InChIKey

IPHYEANULIQJIU-UHFFFAOYSA-N

Compound name

N-benzyl-2,5-dihydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.096816	153.1
[M+Na]+	266.078758	159.7
[M-H]-	242.082264	157.5
[M+NH4]+	261.123363	168.7
[M+K]+	282.052698	155.7
[M+H-H2O]+	226.086800	146.0
[M+HCOO]-	288.087741	175.4
[M+CH3COO]-	302.103391	189.9
[M+Na-2H]-	264.064206	158.0
[M]+	243.08899142	151.4
[M]-	243.09008858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.