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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 154.1
[M+Na]+ 266.07876 166.6
[M+NH4]+ 261.12336 161.5
[M+K]+ 282.05270 162.7
[M-H]- 242.08226 158.9
[M+Na-2H]- 264.06421 159.9
[M]+ 243.08899 157.1
[M]- 243.09009 157.1
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.