CID 11675691
4-amino-1-[[1-(diisopropoxyphosphorylmethoxymethyl)cyclopent-3-en-1-yl]methyl]pyrimidin-2-one
Structural Information
- Molecular Formula
- C18H30N3O5P
- SMILES
- CC(C)OP(=O)(COCC1(CC=CC1)CN2C=CC(=NC2=O)N)OC(C)C
- InChI
- InChI=1S/C18H30N3O5P/c1-14(2)25-27(23,26-15(3)4)13-24-12-18(8-5-6-9-18)11-21-10-7-16(19)20-17(21)22/h5-7,10,14-15H,8-9,11-13H2,1-4H3,(H2,19,20,22)
- InChIKey
- IFASEJAXRRUQQN-UHFFFAOYSA-N
- Compound name
- 4-amino-1-[[1-[di(propan-2-yloxy)phosphorylmethoxymethyl]cyclopent-3-en-1-yl]methyl]pyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 400.19960 | 193.0 |
[M+Na]+ | 422.18154 | 197.0 |
[M-H]- | 398.18504 | 195.1 |
[M+NH4]+ | 417.22614 | 204.6 |
[M+K]+ | 438.15548 | 196.3 |
[M+H-H2O]+ | 382.18958 | 182.4 |
[M+HCOO]- | 444.19052 | 215.9 |
[M+CH3COO]- | 458.20617 | 223.5 |
[M+Na-2H]- | 420.16699 | 191.0 |
[M]+ | 399.19177 | 198.1 |
[M]- | 399.19287 | 198.1 |
Literature stripe
Patent stripe
No patent data available for this compound.