CID 12486303

Chembl3250913

Structural Information

Molecular Formula
C8H12N2O4
SMILES
C1=CN(C(=O)NC1=O)CC[C@@H](CO)O
InChI
InChI=1S/C8H12N2O4/c11-5-6(12)1-3-10-4-2-7(13)9-8(10)14/h2,4,6,11-12H,1,3,5H2,(H,9,13,14)/t6-/m0/s1
InChIKey
WVNYXAINSSDIAD-LURJTMIESA-N
Compound name
1-[(3S)-3,4-dihydroxybutyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

200.07971 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 140.5
[M+Na]+ 223.06893 148.9
[M-H]- 199.07243 137.8
[M+NH4]+ 218.11353 155.1
[M+K]+ 239.04287 145.6
[M+H-H2O]+ 183.07697 133.8
[M+HCOO]- 245.07791 158.4
[M+CH3COO]- 259.09356 176.1
[M+Na-2H]- 221.05438 145.0
[M]+ 200.07916 139.9
[M]- 200.08026 139.9
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.