CID 3021278

5-methyl-4-(1-((4-methylphenyl)imino)ethyl)-2,3-furandione

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC1=CC=C(C=C1)N=C(C)C2=C(OC(=O)C2=O)C

InChI

InChI=1S/C14H13NO3/c1-8-4-6-11(7-5-8)15-9(2)12-10(3)18-14(17)13(12)16/h4-7H,1-3H3

InChIKey

GHGXETJHOVDDMV-UHFFFAOYSA-N

Compound name

5-methyl-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.3
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]+	244.096816	152.3
[M+Na]+	266.078758	161.7
[M-H]-	242.082264	162.1
[M+NH4]+	261.123363	171.2
[M+K]+	282.052698	160.3
[M+H-H2O]+	226.086800	146.0
[M+HCOO]-	288.087741	177.9
[M+CH3COO]-	302.103391	198.3
[M+Na-2H]-	264.064206	154.9
[M]+	243.08899142	155.7
[M]-	243.09008858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.