CID 11609274

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

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=COC=C3)C
InChI
InChI=1S/C18H18N2O3/c1-13-7-14(2)9-16(8-13)11-20-17(21)3-5-19(18(20)22)10-15-4-6-23-12-15/h3-9,12H,10-11H2,1-2H3
InChIKey
BYJHEJVMOJAKBH-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(furan-3-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]+ 311.139016 171.2
[M+Na]+ 333.120958 182.4
[M-H]- 309.124464 180.4
[M+NH4]+ 328.165563 184.1
[M+K]+ 349.094898 178.2
[M+H-H2O]+ 293.129000 161.9
[M+HCOO]- 355.129941 193.7
[M+CH3COO]- 369.145591 205.8
[M+Na-2H]- 331.106406 173.6
[M]+ 310.13119142 176.3
[M]- 310.13228858 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.