CID 3036588

1(1h)-pyrimidinone, 4-amino-1-(5-o-ethyl-beta-d-arabinofuranosyl)-

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CCOC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C11H17N3O5/c1-2-18-5-6-8(15)9(16)10(19-6)14-4-3-7(12)13-11(14)17/h3-4,6,8-10,15-16H,2,5H2,1H3,(H2,12,13,17)/t6-,8-,9+,10-/m1/s1
InChIKey
QOKRAJPMALOJNQ-SFKDOBOXSA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-5-(ethoxymethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.11682 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 159.4
[M+Na]+ 294.10604 167.6
[M-H]- 270.10954 161.8
[M+NH4]+ 289.15064 172.0
[M+K]+ 310.07998 165.8
[M+H-H2O]+ 254.11408 151.7
[M+HCOO]- 316.11502 177.5
[M+CH3COO]- 330.13067 194.9
[M+Na-2H]- 292.09149 160.3
[M]+ 271.11627 160.0
[M]- 271.11737 160.0
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

No patent data available for this compound.