CID 505344

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

Structural Information

Molecular Formula
C23H21Cl2N3O3
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CCC2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H21Cl2N3O3/c1-31-21-9-11-26-23(27-21)20(29)14-22(30)28(12-10-16-5-3-2-4-6-16)15-17-7-8-18(24)19(25)13-17/h2-9,11,13H,10,12,14-15H2,1H3
InChIKey
GBZBVBPKVQWZGS-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-3-oxo-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.10328 203.9
[M+Na]+ 480.08522 210.4
[M-H]- 456.08872 210.9
[M+NH4]+ 475.12982 210.8
[M+K]+ 496.05916 204.2
[M+H-H2O]+ 440.09326 192.7
[M+HCOO]- 502.09420 214.6
[M+CH3COO]- 516.10985 234.4
[M+Na-2H]- 478.07067 204.3
[M]+ 457.09545 211.4
[M]- 457.09655 211.4
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.