CID 510142

Chembl124814

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CCO
InChI
InChI=1S/C12H18N2O5/c1-7-5-14(12(18)13-11(7)17)10-4-8(2-3-15)9(6-16)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
PCEXIFQLIIHTLM-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-(2-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.12158 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 159.4
[M+Na]+ 293.11080 168.1
[M-H]- 269.11430 160.9
[M+NH4]+ 288.15540 172.0
[M+K]+ 309.08474 164.9
[M+H-H2O]+ 253.11884 152.4
[M+HCOO]- 315.11978 175.5
[M+CH3COO]- 329.13543 190.1
[M+Na-2H]- 291.09625 159.8
[M]+ 270.12103 159.6
[M]- 270.12213 159.6
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

No patent data available for this compound.