CID 505008

N-(4-methoxy-phenyl)-n-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide

Structural Information

Molecular Formula
C25H21N3O3
SMILES
COC1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C25H21N3O3/c1-31-22-11-9-21(10-12-22)28(24(30)16-23(29)25-26-13-4-14-27-25)17-18-7-8-19-5-2-3-6-20(19)15-18/h2-15H,16-17H2,1H3
InChIKey
MLHRECFCJIXWOQ-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 199.4
[M+Na]+ 434.14752 203.9
[M-H]- 410.15102 207.5
[M+NH4]+ 429.19212 206.6
[M+K]+ 450.12146 199.0
[M+H-H2O]+ 394.15556 186.4
[M+HCOO]- 456.15650 218.2
[M+CH3COO]- 470.17215 207.4
[M+Na-2H]- 432.13297 203.5
[M]+ 411.15775 201.4
[M]- 411.15885 201.4
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.