CID 209073

Pyrimidine, 2-(4-(2-(3,4-(methylenedioxy)phenoxy)ethyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C17H20N4O3
SMILES
C1CN(CCN1CCOC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4
InChI
InChI=1S/C17H20N4O3/c1-4-18-17(19-5-1)21-8-6-20(7-9-21)10-11-22-14-2-3-15-16(12-14)24-13-23-15/h1-5,12H,6-11,13H2
InChIKey
NIYOOWYNPRXXAP-UHFFFAOYSA-N
Compound name
2-[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.15353 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 176.0
[M+Na]+ 351.142748 181.6
[M-H]- 327.146254 181.2
[M+NH4]+ 346.187353 183.4
[M+K]+ 367.116688 179.2
[M+H-H2O]+ 311.150790 163.9
[M+HCOO]- 373.151731 188.5
[M+CH3COO]- 387.167381 184.7
[M+Na-2H]- 349.128196 179.5
[M]+ 328.15298142 175.1
[M]- 328.15407858 175.1
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