CID 5274109

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

Structural Information

Molecular Formula
C9H10ClN3O3
SMILES
C1=CN(C(=O)N=C1N)[C@H]2C(=C[C@H](O2)CO)Cl
InChI
InChI=1S/C9H10ClN3O3/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-3,5,8,14H,4H2,(H2,11,12,15)/t5-,8+/m0/s1
InChIKey
UYHXJVHWGKMARX-YLWLKBPMSA-N
Compound name
4-amino-1-[(2R,5S)-3-chloro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04106 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04834 150.1
[M+Na]+ 266.03028 160.9
[M-H]- 242.03378 154.0
[M+NH4]+ 261.07488 165.4
[M+K]+ 282.00422 157.1
[M+H-H2O]+ 226.03832 143.1
[M+HCOO]- 288.03926 166.8
[M+CH3COO]- 302.05491 188.5
[M+Na-2H]- 264.01573 153.3
[M]+ 243.04051 151.9
[M]- 243.04161 151.9
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.