CID 3059525

7-(2-benzofuranyl)-2,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1CN=C2CC(CN2C1=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C15H14N2O2/c18-15-5-6-16-14-8-11(9-17(14)15)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11H,5-6,8-9H2
InChIKey
CDGHRULBTRBLMT-UHFFFAOYSA-N
Compound name
7-(1-benzofuran-2-yl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 154.8
[M+Na]+ 277.09475 164.6
[M-H]- 253.09825 161.9
[M+NH4]+ 272.13935 173.4
[M+K]+ 293.06869 161.1
[M+H-H2O]+ 237.10279 147.4
[M+HCOO]- 299.10373 174.2
[M+CH3COO]- 313.11938 167.7
[M+Na-2H]- 275.08020 158.5
[M]+ 254.10498 155.5
[M]- 254.10608 155.5
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.