CID 511270
[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl n-(4-aminobutyl)carbamate
Structural Information
- Molecular Formula
- C13H21N5O4S
- SMILES
- C1[C@H](O[C@H](S1)COC(=O)NCCCCN)N2C=CC(=NC2=O)N
- InChI
- InChI=1S/C13H21N5O4S/c14-4-1-2-5-16-13(20)21-7-11-22-10(8-23-11)18-6-3-9(15)17-12(18)19/h3,6,10-11H,1-2,4-5,7-8,14H2,(H,16,20)(H2,15,17,19)/t10-,11+/m0/s1
- InChIKey
- ACTLZZFXDVWKTJ-WDEREUQCSA-N
- Compound name
- [(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl N-(4-aminobutyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.13872 | 176.7 |
[M+Na]+ | 366.12066 | 181.8 |
[M-H]- | 342.12416 | 180.4 |
[M+NH4]+ | 361.16526 | 187.0 |
[M+K]+ | 382.09460 | 179.1 |
[M+H-H2O]+ | 326.12870 | 167.7 |
[M+HCOO]- | 388.12964 | 192.8 |
[M+CH3COO]- | 402.14529 | 213.2 |
[M+Na-2H]- | 364.10611 | 176.0 |
[M]+ | 343.13089 | 177.7 |
[M]- | 343.13199 | 177.7 |
Literature stripe
Patent stripe
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