CID 3021287

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

Structural Information

Molecular Formula
C19H15NO4
SMILES
CC(=NC1=CC=C(C=C1)OC)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO4/c1-12(20-14-8-10-15(23-2)11-9-14)16-17(21)19(22)24-18(16)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKey
YXZJQNKZKVCRBV-UHFFFAOYSA-N
Compound name
4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 173.3
[M+Na]+ 344.08932 181.6
[M-H]- 320.09282 185.9
[M+NH4]+ 339.13392 188.2
[M+K]+ 360.06326 179.3
[M+H-H2O]+ 304.09736 165.0
[M+HCOO]- 366.09830 198.7
[M+CH3COO]- 380.11395 211.5
[M+Na-2H]- 342.07477 175.3
[M]+ 321.09955 177.1
[M]- 321.10065 177.1
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.