CID 16728586

2(1h)-pyrimidinone, 4-amino-1-[(2r,5s)-2,5-dihydro-5-(hydroxymethyl)-4-(3-methoxyphenyl)-2-furanyl]-

Structural Information

Molecular Formula
C16H17N3O4
SMILES
COC1=CC=CC(=C1)C2=C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)N
InChI
InChI=1S/C16H17N3O4/c1-22-11-4-2-3-10(7-11)12-8-15(23-13(12)9-20)19-6-5-14(17)18-16(19)21/h2-8,13,15,20H,9H2,1H3,(H2,17,18,21)/t13-,15-/m1/s1
InChIKey
KKQZSYTXFBADOW-UKRRQHHQSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-4-(3-methoxyphenyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.12192 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12920 171.9
[M+Na]+ 338.11114 181.0
[M-H]- 314.11464 179.2
[M+NH4]+ 333.15574 183.0
[M+K]+ 354.08508 177.5
[M+H-H2O]+ 298.11918 162.6
[M+HCOO]- 360.12012 192.5
[M+CH3COO]- 374.13577 205.5
[M+Na-2H]- 336.09659 173.7
[M]+ 315.12137 173.5
[M]- 315.12247 173.5
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.