CID 505105

N-[4-(cyclopentanecarbonyl)phenyl]-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C30H27N3O3
SMILES
C1CCC(C1)C(=O)C2=CC=C(C=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C30H27N3O3/c34-27(30-31-16-5-17-32-30)19-28(35)33(20-21-10-11-22-6-1-4-9-25(22)18-21)26-14-12-24(13-15-26)29(36)23-7-2-3-8-23/h1,4-6,9-18,23H,2-3,7-8,19-20H2
InChIKey
NXQYYJDIXNIRME-UHFFFAOYSA-N
Compound name
N-[4-(cyclopentanecarbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.20523 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.21251 215.1
[M+Na]+ 500.19445 216.1
[M-H]- 476.19795 225.5
[M+NH4]+ 495.23905 220.5
[M+K]+ 516.16839 210.7
[M+H-H2O]+ 460.20249 201.9
[M+HCOO]- 522.20343 230.5
[M+CH3COO]- 536.21908 221.0
[M+Na-2H]- 498.17990 213.0
[M]+ 477.20468 212.9
[M]- 477.20578 212.9
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.