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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.16081 | 176.0 |
[M+Na]+ | 351.14275 | 181.6 |
[M-H]- | 327.14625 | 181.2 |
[M+NH4]+ | 346.18735 | 183.4 |
[M+K]+ | 367.11669 | 179.2 |
[M+H-H2O]+ | 311.15079 | 163.9 |
[M+HCOO]- | 373.15173 | 188.5 |
[M+CH3COO]- | 387.16738 | 184.7 |
[M+Na-2H]- | 349.12820 | 179.5 |
[M]+ | 328.15298 | 175.1 |
[M]- | 328.15408 | 175.1 |
Literature stripe
No literature data available for this compound.