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 157.9
[M+Na]+ 273.12096 163.1
[M-H]- 249.12446 159.8
[M+NH4]+ 268.16556 171.3
[M+K]+ 289.09490 160.4
[M+H-H2O]+ 233.12900 149.1
[M+HCOO]- 295.12994 173.9
[M+CH3COO]- 309.14559 190.7
[M+Na-2H]- 271.10641 160.5
[M]+ 250.13119 155.1
[M]- 250.13229 155.1
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