CID 209073

Brn 3011414

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]+ 329.16081 177.6
[M+Na]+ 351.14275 191.4
[M+NH4]+ 346.18735 184.3
[M+K]+ 367.11669 186.8
[M-H]- 327.14625 183.8
[M+Na-2H]- 349.12820 183.6
[M]+ 328.15298 181.3
[M]- 328.15408 181.3
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