CID 3042432

Piperazinone, 4-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C14H18N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCNC(=O)C2
InChI
InChI=1S/C14H18N2O5/c1-19-10-6-9(7-11(20-2)13(10)21-3)14(18)16-5-4-15-12(17)8-16/h6-7H,4-5,8H2,1-3H3,(H,15,17)
InChIKey
FVVGGRQBWXFEJM-UHFFFAOYSA-N
Compound name
4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 166.0
[M+Na]+ 317.11080 172.6
[M-H]- 293.11430 168.5
[M+NH4]+ 312.15540 177.9
[M+K]+ 333.08474 170.5
[M+H-H2O]+ 277.11884 157.3
[M+HCOO]- 339.11978 182.2
[M+CH3COO]- 353.13543 199.9
[M+Na-2H]- 315.09625 166.9
[M]+ 294.12103 166.7
[M]- 294.12213 166.7
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.