CID 3018719

Schembl9719978

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₃

SMILES

CC1=C(C(=CC=C1)C)N(C(C)C=NOC)C(=O)COC

InChI

InChI=1S/C15H22N2O3/c1-11-7-6-8-12(2)15(11)17(14(18)10-19-4)13(3)9-16-20-5/h6-9,13H,10H2,1-5H3

InChIKey

PVKHDHPDXOREJI-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-methoxy-N-(1-methoxyiminopropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 278.16306 Da
Monoisotopic Mass: 1.8
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]+	279.170336	166.5
[M+Na]+	301.152278	172.0
[M-H]-	277.155784	172.7
[M+NH4]+	296.196883	183.5
[M+K]+	317.126218	172.4
[M+H-H2O]+	261.160320	158.7
[M+HCOO]-	323.161261	192.2
[M+CH3COO]-	337.176911	212.4
[M+Na-2H]-	299.137726	168.0
[M]+	278.16251142	172.5
[M]-	278.16360858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe