CID 451378

Schembl4749034

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C10H13N3O3/c1-6-4-13(10(15)12-9(6)11)8-3-2-7(5-14)16-8/h2-4,7-8,14H,5H2,1H3,(H2,11,12,15)/t7-,8+/m0/s1
InChIKey
AUVLGULYQNVLGA-JGVFFNPUSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

223.09569 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 147.7
[M+Na]+ 246.08491 157.5
[M-H]- 222.08841 151.8
[M+NH4]+ 241.12951 163.1
[M+K]+ 262.05885 155.2
[M+H-H2O]+ 206.09295 140.1
[M+HCOO]- 268.09389 168.9
[M+CH3COO]- 282.10954 187.8
[M+Na-2H]- 244.07036 151.1
[M]+ 223.09514 148.0
[M]- 223.09624 148.0
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.