CID 492043

1,3-dimethyl-6-[(2-methyltetrahydrofuran-2-yl)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC1(CCCO1)CC2=CC(=O)N(C(=O)N2C)C
InChI
InChI=1S/C12H18N2O3/c1-12(5-4-6-17-12)8-9-7-10(15)14(3)11(16)13(9)2/h7H,4-6,8H2,1-3H3
InChIKey
GWEAIQGLRQUGDF-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 149.0
[M+Na]+ 261.12096 159.6
[M-H]- 237.12446 154.7
[M+NH4]+ 256.16556 167.2
[M+K]+ 277.09490 158.1
[M+H-H2O]+ 221.12900 142.3
[M+HCOO]- 283.12994 169.5
[M+CH3COO]- 297.14559 190.9
[M+Na-2H]- 259.10641 152.9
[M]+ 238.13119 151.9
[M]- 238.13229 151.9
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

No patent data available for this compound.