CID 369823

Nsc642018

Structural Information

Molecular Formula
C32H25NO5
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C32H25NO5/c1-19-11-10-12-20(2)27(19)33-31(36)29(35)26(30-24-17-8-9-18-25(24)32(37)38-30)28(34)23-16-7-6-15-22(23)21-13-4-3-5-14-21/h3-18,26,30H,1-2H3,(H,33,36)
InChIKey
FTIDQNJBYQFDHN-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-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

503.17328 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.18056 223.5
[M+Na]+ 526.16250 227.1
[M-H]- 502.16600 237.2
[M+NH4]+ 521.20710 229.4
[M+K]+ 542.13644 223.5
[M+H-H2O]+ 486.17054 212.8
[M+HCOO]- 548.17148 240.4
[M+CH3COO]- 562.18713 247.2
[M+Na-2H]- 524.14795 219.2
[M]+ 503.17273 224.7
[M]- 503.17383 224.7
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.