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]+ 292.096816 165.9
[M+Na]+ 314.078758 173.9
[M-H]- 290.082264 178.3
[M+NH4]+ 309.123363 181.9
[M+K]+ 330.052698 171.1
[M+H-H2O]+ 274.086800 157.8
[M+HCOO]- 336.087741 191.5
[M+CH3COO]- 350.103391 205.1
[M+Na-2H]- 312.064206 169.0
[M]+ 291.08899142 167.6
[M]- 291.09008858 167.6
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.