CID 5274111

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

Structural Information

Molecular Formula
C10H12ClN3O3
SMILES
CNC1=NC(=O)N(C=C1)[C@H]2C(=C[C@H](O2)CO)Cl
InChI
InChI=1S/C10H12ClN3O3/c1-12-8-2-3-14(10(16)13-8)9-7(11)4-6(5-15)17-9/h2-4,6,9,15H,5H2,1H3,(H,12,13,16)/t6-,9+/m0/s1
InChIKey
VHVGJSXWWJTMSN-IMTBSYHQSA-N
Compound name
1-[(2R,5S)-3-chloro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.05673 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06401 154.2
[M+Na]+ 280.04595 164.6
[M-H]- 256.04945 158.4
[M+NH4]+ 275.09055 169.2
[M+K]+ 296.01989 160.9
[M+H-H2O]+ 240.05399 147.0
[M+HCOO]- 302.05493 171.2
[M+CH3COO]- 316.07058 192.1
[M+Na-2H]- 278.03140 158.0
[M]+ 257.05618 157.3
[M]- 257.05728 157.3
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.