CID 350460

4-benzoyl-3-methylpiperazin-2-one

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC1C(=O)NCCN1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O2/c1-9-11(15)13-7-8-14(9)12(16)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,15)
InChIKey
WOPYVIDWKPDYRZ-UHFFFAOYSA-N
Compound name
4-benzoyl-3-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.4
[M+Na]+ 241.09475 155.5
[M-H]- 217.09825 151.5
[M+NH4]+ 236.13935 164.1
[M+K]+ 257.06869 151.9
[M+H-H2O]+ 201.10279 141.1
[M+HCOO]- 263.10373 165.8
[M+CH3COO]- 277.11938 184.8
[M+Na-2H]- 239.08020 152.5
[M]+ 218.10498 144.2
[M]- 218.10608 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.