CID 5466907

Nsc645397

Structural Information

Molecular Formula
C23H16Cl3NO3
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H16Cl3NO3/c24-17-9-7-16(8-10-17)21(28)13-6-15-4-11-18(12-5-15)30-14-22(29)27-23-19(25)2-1-3-20(23)26/h1-13H,14H2,(H,27,29)/b13-6+
InChIKey
ZVIFVIRKAXWYIL-AWNIVKPZSA-N
Compound name
2-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.01956 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.02684 202.7
[M+Na]+ 482.00878 210.8
[M-H]- 458.01228 210.2
[M+NH4]+ 477.05338 212.3
[M+K]+ 497.98272 202.5
[M+H-H2O]+ 442.01682 195.0
[M+HCOO]- 504.01776 210.6
[M+CH3COO]- 518.03341 230.1
[M+Na-2H]- 479.99423 201.5
[M]+ 459.01901 208.6
[M]- 459.02011 208.6
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.