CID 470874

4-amino-5-ethyl-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CCC1=CN(C(=O)N=C1N)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C10H15N3O3S/c1-2-6-3-13(10(15)12-9(6)11)7-5-17-8(4-14)16-7/h3,7-8,14H,2,4-5H2,1H3,(H2,11,12,15)/t7-,8+/m1/s1
InChIKey
YPAHGCGFVWAAHF-SFYZADRCSA-N
Compound name
4-amino-5-ethyl-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0834 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 155.8
[M+Na]+ 280.07262 164.9
[M-H]- 256.07612 159.6
[M+NH4]+ 275.11722 170.5
[M+K]+ 296.04656 161.9
[M+H-H2O]+ 240.08066 148.8
[M+HCOO]- 302.08160 170.7
[M+CH3COO]- 316.09725 191.9
[M+Na-2H]- 278.05807 155.4
[M]+ 257.08285 157.0
[M]- 257.08395 157.0
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.