CID 3021285

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

Structural Information

Molecular Formula
C18H12BrNO3
SMILES
CC(=NC1=CC=C(C=C1)Br)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H12BrNO3/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
OURORMXXJJVFSB-UHFFFAOYSA-N
Compound name
4-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.00006 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.00734 178.9
[M+Na]+ 391.98928 190.1
[M-H]- 367.99278 193.3
[M+NH4]+ 387.03388 195.7
[M+K]+ 407.96322 179.6
[M+H-H2O]+ 351.99732 177.1
[M+HCOO]- 413.99826 201.6
[M+CH3COO]- 428.01391 214.5
[M+Na-2H]- 389.97473 181.9
[M]+ 368.99951 199.3
[M]- 369.00061 199.3
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.