CID 369827

Nsc642024

Structural Information

Molecular Formula
C30H19Cl2NO5
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C30H19Cl2NO5/c31-23-15-14-18(16-24(23)32)33-29(36)27(35)25(28-21-12-6-7-13-22(21)30(37)38-28)26(34)20-11-5-4-10-19(20)17-8-2-1-3-9-17/h1-16,25,28H,(H,33,36)
InChIKey
QYLHPFHJVVRQAO-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.064 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.07128 227.7
[M+Na]+ 566.05322 233.7
[M-H]- 542.05672 241.0
[M+NH4]+ 561.09782 233.9
[M+K]+ 582.02716 228.4
[M+H-H2O]+ 526.06126 218.6
[M+HCOO]- 588.06220 236.2
[M+CH3COO]- 602.07785 234.9
[M+Na-2H]- 564.03867 223.5
[M]+ 543.06345 233.4
[M]- 543.06455 233.4
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.