CID 3008197

1-(benzyloxymethyl)-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H18N2O4
SMILES
C1C2=C(C(O1)C3=CC=CC=C3)N(C(=O)NC2=O)COCC4=CC=CC=C4
InChI
InChI=1S/C20H18N2O4/c23-19-16-12-26-18(15-9-5-2-6-10-15)17(16)22(20(24)21-19)13-25-11-14-7-3-1-4-8-14/h1-10,18H,11-13H2,(H,21,23,24)
InChIKey
WZZXDAPUHLEFKC-UHFFFAOYSA-N
Compound name
7-phenyl-1-(phenylmethoxymethyl)-5,7-dihydrofuro[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 180.4
[M+Na]+ 373.11587 189.3
[M-H]- 349.11937 188.3
[M+NH4]+ 368.16047 191.0
[M+K]+ 389.08981 184.2
[M+H-H2O]+ 333.12391 170.3
[M+HCOO]- 395.12485 199.0
[M+CH3COO]- 409.14050 191.0
[M+Na-2H]- 371.10132 183.9
[M]+ 350.12610 182.5
[M]- 350.12720 182.5
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

No patent data available for this compound.