CID 19400

Bencainamide

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CCN(CC)CCNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H20N2O/c1-3-15(4-2)11-10-14-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)

InChIKey

ZDQCKWWIYRSDKD-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 214
Patents: 220.15756 Da
Monoisotopic Mass: 2.0
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]+	221.16484	153.4
[M+Na]+	243.14678	157.6
[M-H]-	219.15028	157.7
[M+NH4]+	238.19138	171.7
[M+K]+	259.12072	156.4
[M+H-H2O]+	203.15482	146.0
[M+HCOO]-	265.15576	178.6
[M+CH3COO]-	279.17141	198.0
[M+Na-2H]-	241.13223	158.0
[M]+	220.15701	154.5
[M]-	220.15811	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe