CID 505042

N-[3-(4-hydroxy-piperidine-1-carbonyl)-phenyl]-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C30H28N4O4
SMILES
C1CN(CCC1O)C(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C5=NC=CC=N5
InChI
InChI=1S/C30H28N4O4/c35-26-11-15-33(16-12-26)30(38)24-7-3-8-25(18-24)34(28(37)19-27(36)29-31-13-4-14-32-29)20-21-9-10-22-5-1-2-6-23(22)17-21/h1-10,13-14,17-18,26,35H,11-12,15-16,19-20H2
InChIKey
PKKWNWIGRYWLEH-UHFFFAOYSA-N
Compound name
N-[3-(4-hydroxypiperidine-1-carbonyl)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

508.21106 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.21834 220.1
[M+Na]+ 531.20028 220.4
[M-H]- 507.20378 227.3
[M+NH4]+ 526.24488 220.2
[M+K]+ 547.17422 214.9
[M+H-H2O]+ 491.20832 205.3
[M+HCOO]- 553.20926 230.4
[M+CH3COO]- 567.22491 223.9
[M+Na-2H]- 529.18573 219.8
[M]+ 508.21051 215.9
[M]- 508.21161 215.9
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.