CID 135455046

6-((1-(4-meo-phenyl)-2,5-dioxo-3-pyrrolidinyl)amino)-2,4(3h,5h)-pyrimidinedione

Structural Information

Molecular Formula
C15H14N4O5
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N=C3CC(=O)NC(=O)N3
InChI
InChI=1S/C15H14N4O5/c1-24-9-4-2-8(3-5-9)19-13(21)6-10(14(19)22)16-11-7-12(20)18-15(23)17-11/h2-5,10H,6-7H2,1H3,(H2,16,17,18,20,23)
InChIKey
FFFHBGWKGFMJNZ-UHFFFAOYSA-N
Compound name
6-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]imino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0964 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 176.0
[M+Na]+ 353.08562 185.3
[M+NH4]+ 348.13022 179.3
[M+K]+ 369.05956 183.5
[M-H]- 329.08912 176.8
[M+Na-2H]- 351.07107 178.7
[M]+ 330.09585 176.7
[M]- 330.09695 176.7
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.