CID 16074520

5-ethyl-1-(2-methoxyethoxymethyl)-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C21H22N2O5
SMILES
CCC1=C(N(C(=O)NC1=O)COCCOC)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H22N2O5/c1-3-15-18(23(13-28-12-11-27-2)21(26)22-20(15)25)19(24)17-10-6-8-14-7-4-5-9-16(14)17/h4-10H,3,11-13H2,1-2H3,(H,22,25,26)
InChIKey
ZHUFFUDPIULVKF-UHFFFAOYSA-N
Compound name
5-ethyl-1-(2-methoxyethoxymethyl)-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.15286 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 190.0
[M+Na]+ 405.14208 198.5
[M-H]- 381.14558 193.8
[M+NH4]+ 400.18668 199.2
[M+K]+ 421.11602 193.3
[M+H-H2O]+ 365.15012 179.5
[M+HCOO]- 427.15106 207.6
[M+CH3COO]- 441.16671 218.8
[M+Na-2H]- 403.12753 192.4
[M]+ 382.15231 195.5
[M]- 382.15341 195.5
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.