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 174.5
[M+Na]+ 353.08562 181.6
[M-H]- 329.08912 179.3
[M+NH4]+ 348.13022 184.6
[M+K]+ 369.05956 176.7
[M+H-H2O]+ 313.09366 164.9
[M+HCOO]- 375.09460 190.7
[M+CH3COO]- 389.11025 207.5
[M+Na-2H]- 351.07107 173.0
[M]+ 330.09585 170.0
[M]- 330.09695 170.0
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.