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

literature stripe

Patent stripe

patents stripe