CID 9570580

Bg5q5gn5po

Structural Information

Molecular Formula

C₁₆H₁₄N₄O₄

SMILES

CC(=O)NC1=CC=C(C=C1)C2=CC=C(O2)/C=N/N3CC(=O)NC3=O

InChI

InChI=1S/C16H14N4O4/c1-10(21)18-12-4-2-11(3-5-12)14-7-6-13(24-14)8-17-20-9-15(22)19-16(20)23/h2-8H,9H2,1H3,(H,18,21)(H,19,22,23)/b17-8+

InChIKey

KCHQFKQLAANEFF-CAOOACKPSA-N

Compound name

N-[4-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 326.1015 Da
Monoisotopic Mass: 1.0
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]+	327.108776	173.4
[M+Na]+	349.090718	180.3
[M-H]-	325.094224	182.2
[M+NH4]+	344.135323	185.9
[M+K]+	365.064658	177.5
[M+H-H2O]+	309.098760	164.6
[M+HCOO]-	371.099701	196.2
[M+CH3COO]-	385.115351	210.0
[M+Na-2H]-	347.076166	173.6
[M]+	326.10095142	173.3
[M]-	326.10204858	173.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.