CID 16074580

1-(benzyloxymethyl)-9-phenyl-6,7,8,9-tetrahydro-5h-cyclohepta[d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H24N2O3
SMILES
C1CCC2=C(C(C1)C3=CC=CC=C3)N(C(=O)NC2=O)COCC4=CC=CC=C4
InChI
InChI=1S/C23H24N2O3/c26-22-20-14-8-7-13-19(18-11-5-2-6-12-18)21(20)25(23(27)24-22)16-28-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,24,26,27)
InChIKey
GNXDEEQSLWWBGV-UHFFFAOYSA-N
Compound name
9-phenyl-1-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 192.6
[M+Na]+ 399.16790 198.3
[M-H]- 375.17140 199.7
[M+NH4]+ 394.21250 201.0
[M+K]+ 415.14184 196.2
[M+H-H2O]+ 359.17594 182.4
[M+HCOO]- 421.17688 208.2
[M+CH3COO]- 435.19253 200.6
[M+Na-2H]- 397.15335 195.3
[M]+ 376.17813 188.4
[M]- 376.17923 188.4
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.