CID 505300

N-(4-acetyl-3-chloro-phenyl)-n-(3,4-dichloro-benzyl)-3-(4-methoxy-pyrimidin-2-yl)-3-oxo-propionamide

Structural Information

Molecular Formula
C23H18Cl3N3O4
SMILES
CC(=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/C23H18Cl3N3O4/c1-13(30)16-5-4-15(10-18(16)25)29(12-14-3-6-17(24)19(26)9-14)22(32)11-20(31)23-27-8-7-21(28-23)33-2/h3-10H,11-12H2,1-2H3
InChIKey
LACWOBVOPDRZCM-UHFFFAOYSA-N
Compound name
N-(4-acetyl-3-chlorophenyl)-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

505.0363 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.04358 206.2
[M+Na]+ 528.02552 214.1
[M-H]- 504.02902 213.0
[M+NH4]+ 523.07012 211.9
[M+K]+ 543.99946 208.7
[M+H-H2O]+ 488.03356 196.4
[M+HCOO]- 550.03450 211.2
[M+CH3COO]- 564.05015 242.7
[M+Na-2H]- 526.01097 203.9
[M]+ 505.03575 215.4
[M]- 505.03685 215.4
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.