CID 369829

Nsc642026

Structural Information

Molecular Formula
C36H33NO5
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C36H33NO5/c1-21(2)24-19-12-20-25(22(3)4)31(24)37-35(40)33(39)30(34-28-17-10-11-18-29(28)36(41)42-34)32(38)27-16-9-8-15-26(27)23-13-6-5-7-14-23/h5-22,30,34H,1-4H3,(H,37,40)
InChIKey
SNWBQTFUIPYXSV-UHFFFAOYSA-N
Compound name
N-[2,6-di(propan-2-yl)phenyl]-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

559.2359 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.24318 239.1
[M+Na]+ 582.22512 240.0
[M-H]- 558.22862 252.0
[M+NH4]+ 577.26972 242.3
[M+K]+ 598.19906 237.2
[M+H-H2O]+ 542.23316 228.3
[M+HCOO]- 604.23410 252.5
[M+CH3COO]- 618.24975 260.1
[M+Na-2H]- 580.21057 230.9
[M]+ 559.23535 240.5
[M]- 559.23645 240.5
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.