CID 3021277

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

Structural Information

Molecular Formula
C13H11NO3
SMILES
CC1=C(C(=O)C(=O)O1)C(=NC2=CC=CC=C2)C
InChI
InChI=1S/C13H11NO3/c1-8(14-10-6-4-3-5-7-10)11-9(2)17-13(16)12(11)15/h3-7H,1-2H3
InChIKey
DKHPTGRIGUOCHV-UHFFFAOYSA-N
Compound name
5-methyl-4-(C-methyl-N-phenylcarbonimidoyl)furan-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 149.9
[M+Na]+ 252.06312 162.2
[M+NH4]+ 247.10772 157.4
[M+K]+ 268.03706 158.4
[M-H]- 228.06662 154.7
[M+Na-2H]- 250.04857 156.1
[M]+ 229.07335 152.8
[M]- 229.07445 152.8
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.