CID 65919

Cebaracetam

Structural Information

Molecular Formula
C16H18ClN3O3
SMILES
C1CN(CC(=O)N1)C(=O)CN2CC(CC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H18ClN3O3/c17-13-3-1-11(2-4-13)12-7-15(22)20(8-12)10-16(23)19-6-5-18-14(21)9-19/h1-4,12H,5-10H2,(H,18,21)
InChIKey
QPKMIYNBZGPJAR-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]acetyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

492
Patents

335.10367 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11095 178.5
[M+Na]+ 358.09289 184.4
[M-H]- 334.09639 182.0
[M+NH4]+ 353.13749 189.3
[M+K]+ 374.06683 178.2
[M+H-H2O]+ 318.10093 168.8
[M+HCOO]- 380.10187 186.9
[M+CH3COO]- 394.11752 203.8
[M+Na-2H]- 356.07834 175.0
[M]+ 335.10312 174.0
[M]- 335.10422 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe