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

0
Patents

252.11101 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 155.0
[M+Na]+ 275.10023 165.0
[M-H]- 251.10373 156.3
[M+NH4]+ 270.14483 169.9
[M+K]+ 291.07417 159.7
[M+H-H2O]+ 235.10827 148.6
[M+HCOO]- 297.10921 172.0
[M+CH3COO]- 311.12486 188.2
[M+Na-2H]- 273.08568 154.0
[M]+ 252.11046 152.8
[M]- 252.11156 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

No patent data available for this compound.