CID 18570

O-acetotoluidide, 2-diethylamino-

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CCN(CC)CC(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C13H20N2O/c1-4-15(5-2)10-13(16)14-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,14,16)

InChIKey

DMRSJQHLNFZQHW-UHFFFAOYSA-N

Compound name

2-(diethylamino)-N-(2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 220.15756 Da
Monoisotopic Mass: 1.7
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	153.1
[M+Na]+	243.14678	158.2
[M-H]-	219.15028	157.8
[M+NH4]+	238.19138	171.7
[M+K]+	259.12072	157.1
[M+H-H2O]+	203.15482	145.9
[M+HCOO]-	265.15576	178.3
[M+CH3COO]-	279.17141	199.1
[M+Na-2H]-	241.13223	157.0
[M]+	220.15701	154.6
[M]-	220.15811	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe