CID 12359494
102233-08-9
Structural Information
- Molecular Formula
- C22H31N3O2
- SMILES
- C[C@@H]1CN(C[C@@H](N1CCCC2=CC(=C(C=C2)OC)OC)C)C3=CC=CC=N3
- InChI
- InChI=1S/C22H31N3O2/c1-17-15-24(22-9-5-6-12-23-22)16-18(2)25(17)13-7-8-19-10-11-20(26-3)21(14-19)27-4/h5-6,9-12,14,17-18H,7-8,13,15-16H2,1-4H3/t17-,18+
- InChIKey
- JFIJFDZAXPPZRA-HDICACEKSA-N
- Compound name
- (2R,6S)-1-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethyl-4-pyridin-2-ylpiperazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 370.24892 | 195.6 |
[M+Na]+ | 392.23086 | 201.2 |
[M-H]- | 368.23436 | 200.2 |
[M+NH4]+ | 387.27546 | 203.6 |
[M+K]+ | 408.20480 | 195.7 |
[M+H-H2O]+ | 352.23890 | 183.2 |
[M+HCOO]- | 414.23984 | 210.2 |
[M+CH3COO]- | 428.25549 | 220.6 |
[M+Na-2H]- | 390.21631 | 194.9 |
[M]+ | 369.24109 | 196.4 |
[M]- | 369.24219 | 196.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.