CID 472588
Allyl n-[(1s,2r)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamate
Structural Information
- Molecular Formula
- C24H31FN2O5S
- SMILES
- CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC=C)O)S(=O)(=O)C2=CC=C(C=C2)F
- InChI
- InChI=1S/C24H31FN2O5S/c1-4-14-32-24(29)26-22(15-19-8-6-5-7-9-19)23(28)17-27(16-18(2)3)33(30,31)21-12-10-20(25)11-13-21/h4-13,18,22-23,28H,1,14-17H2,2-3H3,(H,26,29)/t22-,23+/m0/s1
- InChIKey
- GFPKUCJVTFGNGP-XZOQPEGZSA-N
- Compound name
- prop-2-enyl N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 479.20108 | 213.5 |
[M+Na]+ | 501.18302 | 213.8 |
[M-H]- | 477.18652 | 216.8 |
[M+NH4]+ | 496.22762 | 219.8 |
[M+K]+ | 517.15696 | 210.6 |
[M+H-H2O]+ | 461.19106 | 203.1 |
[M+HCOO]- | 523.19200 | 225.2 |
[M+CH3COO]- | 537.20765 | 239.7 |
[M+Na-2H]- | 499.16847 | 210.2 |
[M]+ | 478.19325 | 216.6 |
[M]- | 478.19435 | 216.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.