CID 281691
Machiline
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
- InChI
- InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
- InChIKey
- LVVKXRQZSRUVPY-UHFFFAOYSA-N
- Compound name
- 1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 167.2 |
[M+Na]+ | 308.12572 | 180.9 |
[M+NH4]+ | 303.17032 | 174.9 |
[M+K]+ | 324.09966 | 173.7 |
[M-H]- | 284.12922 | 170.4 |
[M+Na-2H]- | 306.11117 | 173.2 |
[M]+ | 285.13595 | 170.0 |
[M]- | 285.13705 | 170.0 |