CID 505052

N-(3-acetyl-phenyl)-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C26H21N3O3
SMILES
CC(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C26H21N3O3/c1-18(30)21-8-4-9-23(15-21)29(25(32)16-24(31)26-27-12-5-13-28-26)17-19-10-11-20-6-2-3-7-22(20)14-19/h2-15H,16-17H2,1H3
InChIKey
YPDLUCSPVNZKFU-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16558 202.2
[M+Na]+ 446.14752 206.2
[M-H]- 422.15102 210.3
[M+NH4]+ 441.19212 208.8
[M+K]+ 462.12146 201.2
[M+H-H2O]+ 406.15556 189.4
[M+HCOO]- 468.15650 219.9
[M+CH3COO]- 482.17215 233.0
[M+Na-2H]- 444.13297 204.8
[M]+ 423.15775 203.4
[M]- 423.15885 203.4
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.