CID 509579

1-(benzyloxymethyl)-5-methyl-6-(1-naphthylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H22N2O3
SMILES
CC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H22N2O3/c1-17-22(14-20-12-7-11-19-10-5-6-13-21(19)20)26(24(28)25-23(17)27)16-29-15-18-8-3-2-4-9-18/h2-13H,14-16H2,1H3,(H,25,27,28)
InChIKey
XTLAQIKALJVCGG-UHFFFAOYSA-N
Compound name
5-methyl-6-(naphthalen-1-ylmethyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.16306 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 195.3
[M+Na]+ 409.15228 204.1
[M-H]- 385.15578 202.0
[M+NH4]+ 404.19688 203.9
[M+K]+ 425.12622 196.2
[M+H-H2O]+ 369.16032 183.2
[M+HCOO]- 431.16126 213.3
[M+CH3COO]- 445.17691 204.3
[M+Na-2H]- 407.13773 199.1
[M]+ 386.16251 197.2
[M]- 386.16361 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.