CID 208218

Piperazine, 1-(o-benzoylbenzoyl)-4-methyl-

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-20-11-13-21(14-12-20)19(23)17-10-6-5-9-16(17)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
VVYFQOGHMPESJJ-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazine-1-carbonyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.8
[M+Na]+ 331.14169 178.1
[M-H]- 307.14519 179.7
[M+NH4]+ 326.18629 184.6
[M+K]+ 347.11563 173.5
[M+H-H2O]+ 291.14973 163.0
[M+HCOO]- 353.15067 189.5
[M+CH3COO]- 367.16632 205.2
[M+Na-2H]- 329.12714 174.9
[M]+ 308.15192 169.4
[M]- 308.15302 169.4
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.