CID 50435

Piperonylallylbarbituric acid

Structural Information

Molecular Formula
C15H14N2O5
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H14N2O5/c1-2-5-15(12(18)16-14(20)17-13(15)19)7-9-3-4-10-11(6-9)22-8-21-10/h2-4,6H,1,5,7-8H2,(H2,16,17,18,19,20)
InChIKey
DOIXCQCZFWKGLM-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-ylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09027 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 168.6
[M+Na]+ 325.07949 179.1
[M+NH4]+ 320.12409 174.6
[M+K]+ 341.05343 175.0
[M-H]- 301.08299 170.7
[M+Na-2H]- 323.06494 170.7
[M]+ 302.08972 170.4
[M]- 302.09082 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.