CID 198991

Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-

Structural Information

Molecular Formula
C17H20N4O3
SMILES
COC1=NC(=NC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H20N4O3/c1-22-16-4-5-18-17(19-16)21-8-6-20(7-9-21)11-13-2-3-14-15(10-13)24-12-23-14/h2-5,10H,6-9,11-12H2,1H3
InChIKey
MXCVAUYTZGBTJV-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15353 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 177.6
[M+Na]+ 351.142748 184.1
[M-H]- 327.146254 183.3
[M+NH4]+ 346.187353 185.3
[M+K]+ 367.116688 181.8
[M+H-H2O]+ 311.150790 165.8
[M+HCOO]- 373.151731 190.1
[M+CH3COO]- 387.167381 186.6
[M+Na-2H]- 349.128196 180.3
[M]+ 328.15298142 177.2
[M]- 328.15407858 177.2
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.