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]+ 295.128856 166.0
[M+Na]+ 317.110798 172.6
[M-H]- 293.114304 168.5
[M+NH4]+ 312.155403 177.9
[M+K]+ 333.084738 170.5
[M+H-H2O]+ 277.118840 157.3
[M+HCOO]- 339.119781 182.2
[M+CH3COO]- 353.135431 199.9
[M+Na-2H]- 315.096246 166.9
[M]+ 294.12103142 166.7
[M]- 294.12212858 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.