CID 477852

Schembl24695853

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C[C@]1(C=C[C@@H](O1)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H13N3O3/c1-10(6-14)4-2-8(16-10)13-5-3-7(11)12-9(13)15/h2-5,8,14H,6H2,1H3,(H2,11,12,15)/t8-,10+/m1/s1
InChIKey
LQAJIKRODZMNAS-SCZZXKLOSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-5-methyl-2H-furan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

223.09569 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 145.8
[M+Na]+ 246.08491 155.7
[M-H]- 222.08841 149.8
[M+NH4]+ 241.12951 162.9
[M+K]+ 262.05885 153.7
[M+H-H2O]+ 206.09295 138.8
[M+HCOO]- 268.09389 167.1
[M+CH3COO]- 282.10954 186.0
[M+Na-2H]- 244.07036 151.3
[M]+ 223.09514 146.1
[M]- 223.09624 146.1
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