CID 192294

5-benzyloxybenzylbarbituric acid

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)NC3=O
InChI
InChI=1S/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-13-7-4-8-14(9-13)24-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,19,20,21,22,23)
InChIKey
LHGZUAAZPCYFIW-UHFFFAOYSA-N
Compound name
5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

324.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 175.6
[M+Na]+ 347.10022 181.8
[M-H]- 323.10372 179.5
[M+NH4]+ 342.14482 184.8
[M+K]+ 363.07416 175.5
[M+H-H2O]+ 307.10826 165.3
[M+HCOO]- 369.10920 191.1
[M+CH3COO]- 383.12485 202.6
[M+Na-2H]- 345.08567 177.3
[M]+ 324.11045 171.5
[M]- 324.11155 171.5
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

patents stripe