CID 163319

Imuracetam

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₃

SMILES

C1CC(=O)N(C1)CNC(=O)NCN2CCCC2=O

InChI

InChI=1S/C11H18N4O3/c16-9-3-1-5-14(9)7-12-11(18)13-8-15-6-2-4-10(15)17/h1-8H2,(H2,12,13,18)

InChIKey

WMKONRFEZGAHTE-UHFFFAOYSA-N

Compound name

1,3-bis[(2-oxopyrrolidin-1-yl)methyl]urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 75
Patents: 254.1379 Da
Monoisotopic Mass: -0.2
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]+	255.145176	157.5
[M+Na]+	277.127118	161.2
[M-H]-	253.130624	160.9
[M+NH4]+	272.171723	174.1
[M+K]+	293.101058	159.8
[M+H-H2O]+	237.135160	149.0
[M+HCOO]-	299.136101	178.1
[M+CH3COO]-	313.151751	195.6
[M+Na-2H]-	275.112566	156.9
[M]+	254.13735142	153.0
[M]-	254.13844858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe