CID 504995

N-(3,5-dichloro-phenyl)-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C24H17Cl2N3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)CN(C3=CC(=CC(=C3)Cl)Cl)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C24H17Cl2N3O2/c25-19-11-20(26)13-21(12-19)29(23(31)14-22(30)24-27-8-3-9-28-24)15-16-6-7-17-4-1-2-5-18(17)10-16/h1-13H,14-15H2
InChIKey
WQDBPIKJMKEJKB-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.0698 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.07708 202.0
[M+Na]+ 472.05902 209.4
[M-H]- 448.06252 209.6
[M+NH4]+ 467.10362 209.8
[M+K]+ 488.03296 202.0
[M+H-H2O]+ 432.06706 190.4
[M+HCOO]- 494.06800 211.6
[M+CH3COO]- 508.08365 210.1
[M+Na-2H]- 470.04447 204.8
[M]+ 449.06925 207.2
[M]- 449.07035 207.2
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.