CID 9803758
2-(4'-fluoro-4-biphenylylmethyl)-6-[2-(n-aminocarbonyl-n-hydroxyamino)-ethoxy]-1-oxo-1,2,3,4-tetrahydroisoquinoline
Structural Information
- Molecular Formula
- C25H24FN3O4
- SMILES
- C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CC3=CC=C(C=C3)C4=CC=C(C=C4)F
- InChI
- InChI=1S/C25H24FN3O4/c26-21-7-5-19(6-8-21)18-3-1-17(2-4-18)16-28-12-11-20-15-22(9-10-23(20)24(28)30)33-14-13-29(32)25(27)31/h1-10,15,32H,11-14,16H2,(H2,27,31)
- InChIKey
- QFDRKYCYRMSXMS-UHFFFAOYSA-N
- Compound name
- 1-[2-[[2-[[4-(4-fluorophenyl)phenyl]methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]-1-hydroxyurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 450.18236 | 207.1 |
[M+Na]+ | 472.16430 | 211.3 |
[M-H]- | 448.16780 | 213.7 |
[M+NH4]+ | 467.20890 | 213.7 |
[M+K]+ | 488.13824 | 206.4 |
[M+H-H2O]+ | 432.17234 | 194.5 |
[M+HCOO]- | 494.17328 | 223.5 |
[M+CH3COO]- | 508.18893 | 238.3 |
[M+Na-2H]- | 470.14975 | 206.9 |
[M]+ | 449.17453 | 205.1 |
[M]- | 449.17563 | 205.1 |
Literature stripe
No literature data available for this compound.