CID 3788798
1-(2-pyrimidinyl)-4-(2-(3,4,5-trimethoxyphenyl)ethyl)piperazin-4-ium chloride
Structural Information
- Molecular Formula
- C19H26N4O3
- SMILES
- COC1=CC(=CC(=C1OC)OC)CCN2CCN(CC2)C3=NC=CC=N3
- InChI
- InChI=1S/C19H26N4O3/c1-24-16-13-15(14-17(25-2)18(16)26-3)5-8-22-9-11-23(12-10-22)19-20-6-4-7-21-19/h4,6-7,13-14H,5,8-12H2,1-3H3
- InChIKey
- NAZFATJOQYKBEH-UHFFFAOYSA-N
- Compound name
- 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 359.20778 | 189.5 |
[M+Na]+ | 381.18972 | 195.3 |
[M-H]- | 357.19322 | 192.9 |
[M+NH4]+ | 376.23432 | 196.1 |
[M+K]+ | 397.16366 | 190.8 |
[M+H-H2O]+ | 341.19776 | 176.5 |
[M+HCOO]- | 403.19870 | 204.0 |
[M+CH3COO]- | 417.21435 | 215.5 |
[M+Na-2H]- | 379.17517 | 191.3 |
[M]+ | 358.19995 | 190.8 |
[M]- | 358.20105 | 190.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.