CID 5274110

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

Structural Information

Molecular Formula
C9H10ClN3O4
SMILES
C1=CN(C(=O)N=C1NO)[C@H]2C(=C[C@H](O2)CO)Cl
InChI
InChI=1S/C9H10ClN3O4/c10-6-3-5(4-14)17-8(6)13-2-1-7(12-16)11-9(13)15/h1-3,5,8,14,16H,4H2,(H,11,12,15)/t5-,8+/m0/s1
InChIKey
LBPZCKLDTZFJFB-YLWLKBPMSA-N
Compound name
1-[(2R,5S)-3-chloro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-(hydroxyamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.03598 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04326 152.1
[M+Na]+ 282.02520 162.2
[M-H]- 258.02870 155.2
[M+NH4]+ 277.06980 166.2
[M+K]+ 297.99914 158.6
[M+H-H2O]+ 242.03324 145.2
[M+HCOO]- 304.03418 168.2
[M+CH3COO]- 318.04983 189.1
[M+Na-2H]- 280.01065 156.1
[M]+ 259.03543 154.5
[M]- 259.03653 154.5
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.