CID 482511

Chembl24791

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C2=C)CO)O
InChI
InChI=1S/C12H16N2O4/c1-6-4-14(12(18)13-11(6)17)9-3-10(16)8(5-15)7(9)2/h4,8-10,15-16H,2-3,5H2,1H3,(H,13,17,18)/t8-,9-,10-/m0/s1
InChIKey
GKEUYUMNUHFMKU-GUBZILKMSA-N
Compound name
1-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.11101 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 155.0
[M+Na]+ 275.100228 165.0
[M-H]- 251.103734 156.3
[M+NH4]+ 270.144833 169.9
[M+K]+ 291.074168 159.7
[M+H-H2O]+ 235.108270 148.6
[M+HCOO]- 297.109211 172.0
[M+CH3COO]- 311.124861 188.2
[M+Na-2H]- 273.085676 154.0
[M]+ 252.11046142 152.8
[M]- 252.11155858 152.8
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

patents stripe