CID 72217

D4cc

Structural Information

Molecular Formula
C9H10ClN3O3
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)Cl
InChI
InChI=1S/C9H10ClN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChIKey
KOERXKFNWWUHEL-CAHLUQPWSA-N
Compound name
4-amino-5-chloro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

243.04106 Da
Monoisotopic Mass

-0.7
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

literature stripe

Patent stripe

patents stripe