CID 471532

.beta.-d-n^4-ipr-d4fc

Structural Information

Molecular Formula
C12H16FN3O3
SMILES
CC(C)NC1=NC(=O)N(C=C1F)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C12H16FN3O3/c1-7(2)14-11-9(13)5-16(12(18)15-11)10-4-3-8(6-17)19-10/h3-5,7-8,10,17H,6H2,1-2H3,(H,14,15,18)/t8-,10+/m0/s1
InChIKey
NUUKVMQJZYUDRQ-WCBMZHEXSA-N
Compound name
5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-(propan-2-ylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

269.11758 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12486 159.2
[M+Na]+ 292.10680 167.8
[M-H]- 268.11030 162.1
[M+NH4]+ 287.15140 172.8
[M+K]+ 308.08074 165.5
[M+H-H2O]+ 252.11484 150.4
[M+HCOO]- 314.11578 178.3
[M+CH3COO]- 328.13143 197.9
[M+Na-2H]- 290.09225 160.8
[M]+ 269.11703 159.5
[M]- 269.11813 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe