CID 505039

N-[3-(1,1-dimethoxyethyl)phenyl]-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C28H27N3O4
SMILES
CC(C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)(OC)OC
InChI
InChI=1S/C28H27N3O4/c1-28(34-2,35-3)23-10-6-11-24(17-23)31(26(33)18-25(32)27-29-14-7-15-30-27)19-20-12-13-21-8-4-5-9-22(21)16-20/h4-17H,18-19H2,1-3H3
InChIKey
MCKNEHWOGCFWKZ-UHFFFAOYSA-N
Compound name
N-[3-(1,1-dimethoxyethyl)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

469.20016 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.20744 215.1
[M+Na]+ 492.18938 218.2
[M-H]- 468.19288 222.9
[M+NH4]+ 487.23398 219.8
[M+K]+ 508.16332 214.4
[M+H-H2O]+ 452.19742 201.9
[M+HCOO]- 514.19836 231.3
[M+CH3COO]- 528.21401 240.9
[M+Na-2H]- 490.17483 218.9
[M]+ 469.19961 218.9
[M]- 469.20071 218.9
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.