CID 509568

1-(2-hydroxy-ethoxymethyl)-5-methyl-6-naphthalen-1-ylmethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H20N2O4/c1-13-17(21(12-25-10-9-22)19(24)20-18(13)23)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,22H,9-12H2,1H3,(H,20,23,24)
InChIKey
MJUOKELNSJQMOF-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 180.1
[M+Na]+ 363.131518 189.5
[M-H]- 339.135024 182.9
[M+NH4]+ 358.176123 190.8
[M+K]+ 379.105458 183.1
[M+H-H2O]+ 323.139560 170.4
[M+HCOO]- 385.140501 197.7
[M+CH3COO]- 399.156151 208.3
[M+Na-2H]- 361.116966 184.1
[M]+ 340.14175142 183.1
[M]- 340.14284858 183.1
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.