CID 508277
Benzamide, n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2,3-dimethyl-
Structural Information
- Molecular Formula
- C30H38N2O5S
- SMILES
- CC1=C(C(=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)OC)O)C
- InChI
- InChI=1S/C30H38N2O5S/c1-21(2)19-32(38(35,36)26-16-14-25(37-5)15-17-26)20-29(33)28(18-24-11-7-6-8-12-24)31-30(34)27-13-9-10-22(3)23(27)4/h6-17,21,28-29,33H,18-20H2,1-5H3,(H,31,34)/t28-,29+/m0/s1
- InChIKey
- VFGVMDNKZSFIGK-URLMMPGGSA-N
- Compound name
- N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2,3-dimethylbenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 539.25738 | 230.5 |
[M+Na]+ | 561.23932 | 230.4 |
[M-H]- | 537.24282 | 238.3 |
[M+NH4]+ | 556.28392 | 234.2 |
[M+K]+ | 577.21326 | 227.5 |
[M+H-H2O]+ | 521.24736 | 219.8 |
[M+HCOO]- | 583.24830 | 242.3 |
[M+CH3COO]- | 597.26395 | 254.4 |
[M+Na-2H]- | 559.22477 | 226.7 |
[M]+ | 538.24955 | 235.6 |
[M]- | 538.25065 | 235.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.