CID 3021286

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

Structural Information

Molecular Formula
C18H12INO3
SMILES
CC(=NC1=CC=C(C=C1)I)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H12INO3/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
CMYSSLRYZBQULP-UHFFFAOYSA-N
Compound name
4-[N-(4-iodophenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.98618 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.99346 181.2
[M+Na]+ 439.97540 182.5
[M-H]- 415.97890 185.7
[M+NH4]+ 435.02000 191.6
[M+K]+ 455.94934 185.3
[M+H-H2O]+ 399.98344 169.3
[M+HCOO]- 461.98438 200.9
[M+CH3COO]- 476.00003 216.0
[M+Na-2H]- 437.96085 171.2
[M]+ 416.98563 180.3
[M]- 416.98673 180.3
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.