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 152.3
[M+Na]+ 266.07876 161.7
[M-H]- 242.08226 162.1
[M+NH4]+ 261.12336 171.2
[M+K]+ 282.05270 160.3
[M+H-H2O]+ 226.08680 146.0
[M+HCOO]- 288.08774 177.9
[M+CH3COO]- 302.10339 198.3
[M+Na-2H]- 264.06421 154.9
[M]+ 243.08899 155.7
[M]- 243.09009 155.7
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.