CID 48376

Acetophenone, 2-(4-(2-pyrimidyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

Structural Information

Molecular Formula
C19H24N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C19H24N4O4/c1-25-16-11-14(12-17(26-2)18(16)27-3)15(24)13-22-7-9-23(10-8-22)19-20-5-4-6-21-19/h4-6,11-12H,7-10,13H2,1-3H3
InChIKey
WJUKAJNAZCTNFW-UHFFFAOYSA-N
Compound name
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.17975 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.187026 190.4
[M+Na]+ 395.168968 195.9
[M-H]- 371.172474 194.0
[M+NH4]+ 390.213573 196.1
[M+K]+ 411.142908 192.1
[M+H-H2O]+ 355.177010 177.5
[M+HCOO]- 417.177951 204.2
[M+CH3COO]- 431.193601 217.9
[M+Na-2H]- 393.154416 191.3
[M]+ 372.17920142 191.8
[M]- 372.18029858 191.8
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

No patent data available for this compound.