CID 505241

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

Structural Information

Molecular Formula
C23H19Cl2N3O4
SMILES
CC(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC(=N3)OC
InChI
InChI=1S/C23H19Cl2N3O4/c1-14(29)16-4-3-5-17(11-16)28(13-15-6-7-18(24)19(25)10-15)22(31)12-20(30)23-26-9-8-21(27-23)32-2/h3-11H,12-13H2,1-2H3
InChIKey
NYPRPHRFLORRNX-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-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

471.07526 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.08254 203.7
[M+Na]+ 494.06448 210.9
[M-H]- 470.06798 211.5
[M+NH4]+ 489.10908 210.2
[M+K]+ 510.03842 205.7
[M+H-H2O]+ 454.07252 193.1
[M+HCOO]- 516.07346 214.0
[M+CH3COO]- 530.08911 237.9
[M+Na-2H]- 492.04993 202.8
[M]+ 471.07471 212.0
[M]- 471.07581 212.0
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.