CID 206376

Brn 0702945

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CN(C)C(=O)CN1C2=C(CCC2)C(=O)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3O3/c1-18(2)15(21)11-19-14-10-6-9-13(14)16(22)20(17(19)23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey
ZLHHOGLTMQNYTB-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 171.2
[M+Na]+ 336.13186 183.8
[M+NH4]+ 331.17646 177.6
[M+K]+ 352.10580 179.8
[M-H]- 312.13536 173.9
[M+Na-2H]- 334.11731 176.9
[M]+ 313.14209 173.5
[M]- 313.14319 173.5
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.