CID 571834

Gb-109

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CCC(=O)N(CC(=O)N(C)C)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2O2/c1-4-12(16)15(10-13(17)14(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3

InChIKey

DSROVVNRZSLMFR-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)-2-oxoethyl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 234.13683 Da
Monoisotopic Mass: 0.7
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]+	235.144106	155.6
[M+Na]+	257.126048	160.0
[M-H]-	233.129554	161.6
[M+NH4]+	252.170653	173.8
[M+K]+	273.099988	160.8
[M+H-H2O]+	217.134090	148.1
[M+HCOO]-	279.135031	180.8
[M+CH3COO]-	293.150681	202.9
[M+Na-2H]-	255.111496	158.3
[M]+	234.13628142	158.1
[M]-	234.13737858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe