CID 3021280

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

Structural Information

Molecular Formula
C18H13NO3
SMILES
CC(=NC1=CC=CC=C1)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H13NO3/c1-12(19-14-10-6-3-7-11-14)15-16(20)18(21)22-17(15)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey
DMDKBQZLJXCDTC-UHFFFAOYSA-N
Compound name
4-(C-methyl-N-phenylcarbonimidoyl)-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 166.7
[M+Na]+ 314.07876 181.0
[M+NH4]+ 309.12336 174.6
[M+K]+ 330.05270 175.5
[M-H]- 290.08226 174.3
[M+Na-2H]- 312.06421 175.9
[M]+ 291.08899 170.9
[M]- 291.09009 170.9
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.