CID 132504749
Clik-181
Structural Information
- Molecular Formula
- C25H30N4O5
- SMILES
- CC(=O)NC1=CC=C(C=C1)CCNC(=O)[C@@H]2[C@@H](O2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)C
- InChI
- InChI=1S/C25H30N4O5/c1-16(30)27-19-11-9-17(10-12-19)13-14-26-23(31)21-22(34-21)24(32)28-20(25(33)29(2)3)15-18-7-5-4-6-8-18/h4-12,20-22H,13-15H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-,22+/m0/s1
- InChIKey
- BULLLJQHDGSHOZ-FDFHNCONSA-N
- Compound name
- (2R,3S)-3-N-[2-(4-acetamidophenyl)ethyl]-2-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2,3-dicarboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 467.22890 | 207.3 |
[M+Na]+ | 489.21084 | 209.0 |
[M-H]- | 465.21434 | 218.2 |
[M+NH4]+ | 484.25544 | 208.5 |
[M+K]+ | 505.18478 | 207.6 |
[M+H-H2O]+ | 449.21888 | 197.7 |
[M+HCOO]- | 511.21982 | 229.0 |
[M+CH3COO]- | 525.23547 | 249.5 |
[M+Na-2H]- | 487.19629 | 205.9 |
[M]+ | 466.22107 | 212.4 |
[M]- | 466.22217 | 212.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.