CID 5271343

Chembl153255

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)/C=C/2\CC2(CO)CO
InChI
InChI=1S/C11H14N2O4/c1-7-3-13(10(17)12-9(7)16)4-8-2-11(8,5-14)6-15/h3-4,14-15H,2,5-6H2,1H3,(H,12,16,17)/b8-4+
InChIKey
CIYMTMDEMOEQHC-XBXARRHUSA-N
Compound name
1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

238.09535 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 155.8
[M+Na]+ 261.08457 168.0
[M-H]- 237.08807 157.9
[M+NH4]+ 256.12917 166.8
[M+K]+ 277.05851 161.8
[M+H-H2O]+ 221.09261 150.0
[M+HCOO]- 283.09355 174.0
[M+CH3COO]- 297.10920 186.7
[M+Na-2H]- 259.07002 159.8
[M]+ 238.09480 158.8
[M]- 238.09590 158.8
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.