CID 6447456
(e)-6-(3,7-dimethyl-2,6-octadienyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
Structural Information
- Molecular Formula
- C18H26N2
- SMILES
- CC(=CCC/C(=C/CN1CCC2=C(C1)C=CC=N2)/C)C
- InChI
- InChI=1S/C18H26N2/c1-15(2)6-4-7-16(3)9-12-20-13-10-18-17(14-20)8-5-11-19-18/h5-6,8-9,11H,4,7,10,12-14H2,1-3H3/b16-9+
- InChIKey
- BCUQPSHDSOTGQO-CXUHLZMHSA-N
- Compound name
- 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.21688 | 169.8 |
[M+Na]+ | 293.19882 | 173.9 |
[M-H]- | 269.20232 | 169.8 |
[M+NH4]+ | 288.24342 | 184.4 |
[M+K]+ | 309.17276 | 168.7 |
[M+H-H2O]+ | 253.20686 | 161.0 |
[M+HCOO]- | 315.20780 | 184.1 |
[M+CH3COO]- | 329.22345 | 201.7 |
[M+Na-2H]- | 291.18427 | 171.3 |
[M]+ | 270.20905 | 167.3 |
[M]- | 270.21015 | 167.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.