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]+ 255.112806 154.8
[M+Na]+ 277.094748 164.6
[M-H]- 253.098254 161.9
[M+NH4]+ 272.139353 173.4
[M+K]+ 293.068688 161.1
[M+H-H2O]+ 237.102790 147.4
[M+HCOO]- 299.103731 174.2
[M+CH3COO]- 313.119381 167.7
[M+Na-2H]- 275.080196 158.5
[M]+ 254.10498142 155.5
[M]- 254.10607858 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.