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]+ 373.18703 190.4
[M+Na]+ 395.16897 195.9
[M-H]- 371.17247 194.0
[M+NH4]+ 390.21357 196.1
[M+K]+ 411.14291 192.1
[M+H-H2O]+ 355.17701 177.5
[M+HCOO]- 417.17795 204.2
[M+CH3COO]- 431.19360 217.9
[M+Na-2H]- 393.15442 191.3
[M]+ 372.17920 191.8
[M]- 372.18030 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.