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]+ 219.112806 149.4
[M+Na]+ 241.094748 155.5
[M-H]- 217.098254 151.5
[M+NH4]+ 236.139353 164.1
[M+K]+ 257.068688 151.9
[M+H-H2O]+ 201.102790 141.1
[M+HCOO]- 263.103731 165.8
[M+CH3COO]- 277.119381 184.8
[M+Na-2H]- 239.080196 152.5
[M]+ 218.10498142 144.2
[M]- 218.10607858 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.