CID 3021284

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

Structural Information

Molecular Formula
C18H12ClNO3
SMILES
CC(=NC1=CC=C(C=C1)Cl)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H12ClNO3/c1-11(20-14-9-7-13(19)8-10-14)15-16(21)18(22)23-17(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
USMJUDJWVYWYPM-UHFFFAOYSA-N
Compound name
4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.05057 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05785 175.0
[M+Na]+ 348.03979 184.7
[M-H]- 324.04329 187.4
[M+NH4]+ 343.08439 190.7
[M+K]+ 364.01373 180.1
[M+H-H2O]+ 308.04783 167.5
[M+HCOO]- 370.04877 195.8
[M+CH3COO]- 384.06442 209.9
[M+Na-2H]- 346.02524 176.6
[M]+ 325.05002 179.4
[M]- 325.05112 179.4
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.