CID 505306

N-(3-chloro-4-propanoyl-phenyl)-n-[(3,4-dichlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-3-oxo-propanamide

Structural Information

Molecular Formula
C24H20Cl3N3O4
SMILES
CCC(=O)C1=C(C=C(C=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC(=N3)OC)Cl
InChI
InChI=1S/C24H20Cl3N3O4/c1-3-20(31)16-6-5-15(11-18(16)26)30(13-14-4-7-17(25)19(27)10-14)23(33)12-21(32)24-28-9-8-22(29-24)34-2/h4-11H,3,12-13H2,1-2H3
InChIKey
BLKNEQPEEOZBIR-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-propanoylphenyl)-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.05194 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.05922 210.5
[M+Na]+ 542.04116 218.0
[M-H]- 518.04466 217.1
[M+NH4]+ 537.08576 215.7
[M+K]+ 558.01510 212.4
[M+H-H2O]+ 502.04920 200.5
[M+HCOO]- 564.05014 215.2
[M+CH3COO]- 578.06579 245.4
[M+Na-2H]- 540.02661 207.7
[M]+ 519.05139 220.0
[M]- 519.05249 220.0
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.