CID 217296

Brn 2877774

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C)O

InChI

InChI=1S/C17H17NO4/c1-3-22-17(21)13-10-12(8-9-15(13)19)16(20)18-14-7-5-4-6-11(14)2/h4-10,19H,3H2,1-2H3,(H,18,20)

InChIKey

WWSTZECIMAHKMD-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-5-[(2-methylphenyl)carbamoyl]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.11575 Da
Monoisotopic Mass: 3.5
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]+	300.123026	168.5
[M+Na]+	322.104968	175.0
[M-H]-	298.108474	174.3
[M+NH4]+	317.149573	182.7
[M+K]+	338.078908	172.0
[M+H-H2O]+	282.113010	160.7
[M+HCOO]-	344.113951	190.6
[M+CH3COO]-	358.129601	204.2
[M+Na-2H]-	320.090416	170.4
[M]+	299.11520142	170.2
[M]-	299.11629858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.