CID 471868

1-(benzyloxymethyl)cyclopentano[d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CC2=C(C1)N(C(=O)NC2=O)COCC3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c18-14-12-7-4-8-13(12)17(15(19)16-14)10-20-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18,19)
InChIKey
ZWMDDHCDBCHDAW-UHFFFAOYSA-N
Compound name
1-(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 160.0
[M+Na]+ 295.10532 169.0
[M-H]- 271.10882 163.9
[M+NH4]+ 290.14992 175.6
[M+K]+ 311.07926 163.8
[M+H-H2O]+ 255.11336 151.5
[M+HCOO]- 317.11430 179.9
[M+CH3COO]- 331.12995 171.6
[M+Na-2H]- 293.09077 164.2
[M]+ 272.11555 160.7
[M]- 272.11665 160.7
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.