CID 484597

1-(ethoxymethyl)-6,7-dihydro-5h-benzo[[?]:[?]]cyclohepta[[?]]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCOCN1C2=C(CCCC3=CC=CC=C32)C(=O)NC1=O
InChI
InChI=1S/C16H18N2O3/c1-2-21-10-18-14-12-8-4-3-6-11(12)7-5-9-13(14)15(19)17-16(18)20/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,17,19,20)
InChIKey
HYYAXZUHZNFYHS-UHFFFAOYSA-N
Compound name
3-(ethoxymethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),11,13-tetraene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 163.1
[M+Na]+ 309.12096 171.7
[M-H]- 285.12446 166.2
[M+NH4]+ 304.16556 177.2
[M+K]+ 325.09490 170.9
[M+H-H2O]+ 269.12900 155.7
[M+HCOO]- 331.12994 179.9
[M+CH3COO]- 345.14559 173.8
[M+Na-2H]- 307.10641 169.2
[M]+ 286.13119 162.1
[M]- 286.13229 162.1
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.