CID 3087859
St 558
Structural Information
- Molecular Formula
- C20H25NO4
- SMILES
- COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)O)O)OC
- InChI
- InChI=1S/C20H25NO4/c1-24-19-10-14-3-6-16(9-15(14)11-20(19)25-2)21-12-18(23)13-4-7-17(22)8-5-13/h4-5,7-8,10-11,16,18,21-23H,3,6,9,12H2,1-2H3
- InChIKey
- HAJLJESAIQTSLK-UHFFFAOYSA-N
- Compound name
- 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.18562 | 180.6 |
[M+Na]+ | 366.16756 | 184.9 |
[M-H]- | 342.17106 | 184.8 |
[M+NH4]+ | 361.21216 | 193.1 |
[M+K]+ | 382.14150 | 181.1 |
[M+H-H2O]+ | 326.17560 | 172.3 |
[M+HCOO]- | 388.17654 | 197.4 |
[M+CH3COO]- | 402.19219 | 212.6 |
[M+Na-2H]- | 364.15301 | 182.4 |
[M]+ | 343.17779 | 179.9 |
[M]- | 343.17889 | 179.9 |
Literature stripe
No literature data available for this compound.