CID 392553

Nsc693097

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCCO)CC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O4/c1-2-13-14(10-12-6-4-3-5-7-12)18(11-22-9-8-19)16(21)17-15(13)20/h3-7,19H,2,8-11H2,1H3,(H,17,20,21)
InChIKey
WRMFDXOKLXKJJU-UHFFFAOYSA-N
Compound name
6-benzyl-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

304.1423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 169.9
[M+Na]+ 327.13152 178.6
[M-H]- 303.13502 171.7
[M+NH4]+ 322.17612 181.1
[M+K]+ 343.10546 173.2
[M+H-H2O]+ 287.13956 160.8
[M+HCOO]- 349.14050 189.0
[M+CH3COO]- 363.15615 200.1
[M+Na-2H]- 325.11697 173.1
[M]+ 304.14175 172.8
[M]- 304.14285 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.