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]+ 353.149576 182.1
[M+Na]+ 375.131518 191.2
[M-H]- 351.135024 186.3
[M+NH4]+ 370.176123 192.7
[M+K]+ 391.105458 185.9
[M+H-H2O]+ 335.139560 172.5
[M+HCOO]- 397.140501 199.1
[M+CH3COO]- 411.156151 214.6
[M+Na-2H]- 373.116966 183.9
[M]+ 352.14175142 185.4
[M]- 352.14284858 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.