CID 509573

Schembl29684005

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H20N2O3/c1-3-15-17(21(12-24-2)19(23)20-18(15)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKey
RIFDHKDTUNVUSD-UHFFFAOYSA-N
Compound name
5-ethyl-1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

324.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.0
[M+Na]+ 347.13662 187.1
[M-H]- 323.14012 181.2
[M+NH4]+ 342.18122 189.2
[M+K]+ 363.11056 180.8
[M+H-H2O]+ 307.14466 167.2
[M+HCOO]- 369.14560 195.9
[M+CH3COO]- 383.16125 208.3
[M+Na-2H]- 345.12207 181.4
[M]+ 324.14685 180.4
[M]- 324.14795 180.4
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

patents stripe