CID 488277

Chembl296007

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC(=CC=C2)O
InChI
InChI=1S/C16H20N2O4/c1-3-13-14(9-11-6-5-7-12(19)8-11)18(10-22-4-2)16(21)17-15(13)20/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,20,21)
InChIKey
RIYGCPWBYLAZJW-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-[(3-hydroxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 170.0
[M+Na]+ 327.13152 179.6
[M-H]- 303.13502 172.2
[M+NH4]+ 322.17612 181.5
[M+K]+ 343.10546 174.3
[M+H-H2O]+ 287.13956 161.2
[M+HCOO]- 349.14050 189.0
[M+CH3COO]- 363.15615 201.4
[M+Na-2H]- 325.11697 172.5
[M]+ 304.14175 173.3
[M]- 304.14285 173.3
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.