CID 463391

5'-[ph(prnh)]d4tmp

Structural Information

Molecular Formula
C19H24N3O6P
SMILES
CCCNP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C19H24N3O6P/c1-3-11-20-29(25,28-15-7-5-4-6-8-15)26-13-16-9-10-17(27-16)22-12-14(2)18(23)21-19(22)24/h4-10,12,16-17H,3,11,13H2,1-2H3,(H,20,25)(H,21,23,24)/t16-,17+,29?/m0/s1
InChIKey
IEUCYZSQWJBGOG-KZKVIATDSA-N
Compound name
5-methyl-1-[(2R,5S)-5-[[phenoxy(propylamino)phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.14026 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14754 196.8
[M+Na]+ 444.12948 202.4
[M-H]- 420.13298 202.4
[M+NH4]+ 439.17408 203.5
[M+K]+ 460.10342 200.1
[M+H-H2O]+ 404.13752 184.3
[M+HCOO]- 466.13846 220.7
[M+CH3COO]- 480.15411 224.2
[M+Na-2H]- 442.11493 196.6
[M]+ 421.13971 201.0
[M]- 421.14081 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.