CID 11522455

3-[(3,5-dimethylphenyl)methyl]-1-(2-furylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=CC=CO3)C
InChI
InChI=1S/C18H18N2O3/c1-13-8-14(2)10-15(9-13)11-20-17(21)5-6-19(18(20)22)12-16-4-3-7-23-16/h3-10H,11-12H2,1-2H3
InChIKey
SIFXOMRLBMDZAS-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 171.2
[M+Na]+ 333.12096 182.4
[M-H]- 309.12446 180.4
[M+NH4]+ 328.16556 184.1
[M+K]+ 349.09490 178.2
[M+H-H2O]+ 293.12900 161.9
[M+HCOO]- 355.12994 193.7
[M+CH3COO]- 369.14559 205.8
[M+Na-2H]- 331.10641 173.6
[M]+ 310.13119 176.3
[M]- 310.13229 176.3
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.