CID 3008900

1-[(2r,5s)-5-allyl-5-(hydroxymethyl)-2h-furan-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@](O2)(CC=C)CO
InChI
InChI=1S/C13H16N2O4/c1-3-5-13(8-16)6-4-10(19-13)15-7-9(2)11(17)14-12(15)18/h3-4,6-7,10,16H,1,5,8H2,2H3,(H,14,17,18)/t10-,13+/m1/s1
InChIKey
QFMFYRYUQJHVEE-MFKMUULPSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-5-prop-2-enyl-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

264.111 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 156.0
[M+Na]+ 287.10022 166.3
[M-H]- 263.10372 159.1
[M+NH4]+ 282.14482 171.5
[M+K]+ 303.07416 162.6
[M+H-H2O]+ 247.10826 149.4
[M+HCOO]- 309.10920 174.9
[M+CH3COO]- 323.12485 190.1
[M+Na-2H]- 285.08567 159.4
[M]+ 264.11045 157.7
[M]- 264.11155 157.7
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

patents stripe