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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	331.103676	174.5
[M+Na]+	353.085618	181.6
[M-H]-	329.089124	179.3
[M+NH4]+	348.130223	184.6
[M+K]+	369.059558	176.7
[M+H-H2O]+	313.093660	164.9
[M+HCOO]-	375.094601	190.7
[M+CH3COO]-	389.110251	207.5
[M+Na-2H]-	351.071066	173.0
[M]+	330.09585142	170.0
[M]-	330.09694858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.