CID 3008196

1-(ethoxymethyl)-7-phenyl-6,7-dihydro-5h-cyclopenta[d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCOCN1C2=C(CCC2C3=CC=CC=C3)C(=O)NC1=O
InChI
InChI=1S/C16H18N2O3/c1-2-21-10-18-14-12(11-6-4-3-5-7-11)8-9-13(14)15(19)17-16(18)20/h3-7,12H,2,8-10H2,1H3,(H,17,19,20)
InChIKey
NATCEHFIZQDVGM-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 164.8
[M+Na]+ 309.12096 174.3
[M-H]- 285.12446 169.0
[M+NH4]+ 304.16556 180.2
[M+K]+ 325.09490 168.9
[M+H-H2O]+ 269.12900 156.4
[M+HCOO]- 331.12994 184.4
[M+CH3COO]- 345.14559 198.2
[M+Na-2H]- 307.10641 167.7
[M]+ 286.13119 166.3
[M]- 286.13229 166.3
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.