CID 3053537
Brn 1403311
Structural Information
- Molecular Formula
- C19H21FN2O3S
- SMILES
- COC1=C(C=C2C(OCCC2=C1)CNC(=S)NC3=CC(=CC=C3)F)OC
- InChI
- InChI=1S/C19H21FN2O3S/c1-23-16-8-12-6-7-25-18(15(12)10-17(16)24-2)11-21-19(26)22-14-5-3-4-13(20)9-14/h3-5,8-10,18H,6-7,11H2,1-2H3,(H2,21,22,26)
- InChIKey
- TWYSXXBAWKGJCL-UHFFFAOYSA-N
- Compound name
- 1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-3-(3-fluorophenyl)thiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 377.13298 | 186.5 |
[M+Na]+ | 399.11492 | 197.3 |
[M+NH4]+ | 394.15952 | 193.6 |
[M+K]+ | 415.08886 | 188.6 |
[M-H]- | 375.11842 | 191.7 |
[M+Na-2H]- | 397.10037 | 191.5 |
[M]+ | 376.12515 | 189.8 |
[M]- | 376.12625 | 189.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.