CID 486782

5,6-dibenzylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1=CC=C(C=C1)CC2=C(NC(=O)NC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c21-17-15(11-13-7-3-1-4-8-13)16(19-18(22)20-17)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,20,21,22)
InChIKey
GVJFTVQJOZDHNH-UHFFFAOYSA-N
Compound name
5,6-dibenzyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.1212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.9
[M+Na]+ 315.11042 176.4
[M-H]- 291.11392 172.6
[M+NH4]+ 310.15502 178.8
[M+K]+ 331.08436 168.5
[M+H-H2O]+ 275.11846 157.9
[M+HCOO]- 337.11940 187.1
[M+CH3COO]- 351.13505 178.2
[M+Na-2H]- 313.09587 173.2
[M]+ 292.12065 165.5
[M]- 292.12175 165.5
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

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