CID 3021282

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

Structural Information

Molecular Formula
C19H15NO3
SMILES
CC1=CC(=CC=C1)N=C(C)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO3/c1-12-7-6-10-15(11-12)20-13(2)16-17(21)19(22)23-18(16)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKey
CYAJXAUZBJGRLU-UHFFFAOYSA-N
Compound name
4-[C-methyl-N-(3-methylphenyl)carbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11248 171.0
[M+Na]+ 328.09442 185.4
[M+NH4]+ 323.13902 178.7
[M+K]+ 344.06836 179.9
[M-H]- 304.09792 178.5
[M+Na-2H]- 326.07987 179.6
[M]+ 305.10465 175.2
[M]- 305.10575 175.2
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.