CID 16074527

2,4(1h,3h)-pyrimidinedione, 5-isopropyl-6-(1-naphthalenylcarbonyl)-1-methoxymethyl-

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COC)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H20N2O4/c1-12(2)16-17(22(11-26-3)20(25)21-19(16)24)18(23)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,11H2,1-3H3,(H,21,24,25)
InChIKey
XTFWUHLPDUOOTI-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-6-(naphthalene-1-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 182.1
[M+Na]+ 375.13152 191.2
[M-H]- 351.13502 186.3
[M+NH4]+ 370.17612 192.7
[M+K]+ 391.10546 185.9
[M+H-H2O]+ 335.13956 172.5
[M+HCOO]- 397.14050 199.1
[M+CH3COO]- 411.15615 214.6
[M+Na-2H]- 373.11697 183.9
[M]+ 352.14175 185.4
[M]- 352.14285 185.4
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.