CID 16769297

1-(2,4-dimethoxybenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H18N2O3
SMILES
COC1=CC(=C(C=C1)C(=O)N2CCNCC2)OC
InChI
InChI=1S/C13H18N2O3/c1-17-10-3-4-11(12(9-10)18-2)13(16)15-7-5-14-6-8-15/h3-4,9,14H,5-8H2,1-2H3
InChIKey
YLYIGLFJQOHNLD-UHFFFAOYSA-N
Compound name
(2,4-dimethoxyphenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.13174 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.2
[M+Na]+ 273.12096 169.6
[M+NH4]+ 268.16556 164.7
[M+K]+ 289.09490 164.2
[M-H]- 249.12446 159.7
[M+Na-2H]- 271.10641 163.7
[M]+ 250.13119 160.0
[M]- 250.13229 160.0
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