CID 9363

Ethamivan

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3

InChIKey

BQJODPIMMWWMFC-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-hydroxy-3-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 54
References: 1212
Patents: 223.12085 Da
Monoisotopic Mass: 2.1
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]+	224.12813	149.9
[M+Na]+	246.11007	156.8
[M-H]-	222.11357	153.8
[M+NH4]+	241.15467	168.3
[M+K]+	262.08401	156.1
[M+H-H2O]+	206.11811	143.5
[M+HCOO]-	268.11905	173.4
[M+CH3COO]-	282.13470	193.9
[M+Na-2H]-	244.09552	153.0
[M]+	223.12030	153.3
[M]-	223.12140	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe