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 148.2
[M+Na]+ 252.06312 157.1
[M-H]- 228.06662 157.8
[M+NH4]+ 247.10772 167.3
[M+K]+ 268.03706 155.9
[M+H-H2O]+ 212.07116 141.8
[M+HCOO]- 274.07210 174.2
[M+CH3COO]- 288.08775 194.1
[M+Na-2H]- 250.04857 151.9
[M]+ 229.07335 150.8
[M]- 229.07445 150.8
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.