CID 44410850
Chembl207938
Structural Information
- Molecular Formula
- C20H25N5O6
- SMILES
- CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]
- InChI
- InChI=1S/C20H25N5O6/c1-20(2,3)31-19(27)24-10-8-23(9-11-24)16-6-4-14(12-21-16)13-22-18(26)15-5-7-17(30-15)25(28)29/h4-7,12H,8-11,13H2,1-3H3,(H,22,26)
- InChIKey
- XXSYNCSESBWKRD-UHFFFAOYSA-N
- Compound name
- tert-butyl 4-[5-[[(5-nitrofuran-2-carbonyl)amino]methyl]pyridin-2-yl]piperazine-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 432.18776 | 199.2 |
[M+Na]+ | 454.16970 | 200.6 |
[M-H]- | 430.17320 | 205.5 |
[M+NH4]+ | 449.21430 | 203.1 |
[M+K]+ | 470.14364 | 195.4 |
[M+H-H2O]+ | 414.17774 | 193.1 |
[M+HCOO]- | 476.17868 | 214.0 |
[M+CH3COO]- | 490.19433 | 221.0 |
[M+Na-2H]- | 452.15515 | 203.0 |
[M]+ | 431.17993 | 197.1 |
[M]- | 431.18103 | 197.1 |
Literature stripe
Patent stripe
No patent data available for this compound.