CID 3021281

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

Structural Information

Molecular Formula
C19H15NO3
SMILES
CC1=CC=C(C=C1)N=C(C)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO3/c1-12-8-10-15(11-9-12)20-13(2)16-17(21)19(22)23-18(16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
SLLATRHRHWTMLQ-UHFFFAOYSA-N
Compound name
4-[C-methyl-N-(4-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 170.4
[M+Na]+ 328.09442 178.8
[M-H]- 304.09792 183.0
[M+NH4]+ 323.13902 186.0
[M+K]+ 344.06836 175.9
[M+H-H2O]+ 288.10246 162.3
[M+HCOO]- 350.10340 195.6
[M+CH3COO]- 364.11905 209.3
[M+Na-2H]- 326.07987 172.2
[M]+ 305.10465 172.8
[M]- 305.10575 172.8
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.