CID 96142

Piperazine, 1-methyl-4-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H22N2O4/c1-16-5-7-17(8-6-16)15(18)11-9-12(19-2)14(21-4)13(10-11)20-3/h9-10H,5-8H2,1-4H3
InChIKey
LQEOTHINZCAFAC-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

294.15796 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.165236 168.7
[M+Na]+ 317.147178 175.2
[M-H]- 293.150684 172.4
[M+NH4]+ 312.191783 181.5
[M+K]+ 333.121118 173.6
[M+H-H2O]+ 277.155220 159.5
[M+HCOO]- 339.156161 185.7
[M+CH3COO]- 353.171811 203.8
[M+Na-2H]- 315.132626 169.4
[M]+ 294.15741142 170.8
[M]- 294.15850858 170.8
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

patents stripe