CID 505116

N-(6-methyl-2-pyridyl)-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C24H20N4O2
SMILES
CC1=NC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C24H20N4O2/c1-17-6-4-9-22(27-17)28(23(30)15-21(29)24-25-12-5-13-26-24)16-18-10-11-19-7-2-3-8-20(19)14-18/h2-14H,15-16H2,1H3
InChIKey
ICBDSJKFOZTOKE-UHFFFAOYSA-N
Compound name
N-(6-methylpyridin-2-yl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16591 196.1
[M+Na]+ 419.14785 201.3
[M-H]- 395.15135 203.1
[M+NH4]+ 414.19245 202.8
[M+K]+ 435.12179 195.5
[M+H-H2O]+ 379.15589 182.8
[M+HCOO]- 441.15683 213.7
[M+CH3COO]- 455.17248 204.1
[M+Na-2H]- 417.13330 200.9
[M]+ 396.15808 197.0
[M]- 396.15918 197.0
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.