CID 3043052

Benzofuro(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(3-piperidinylpropionyl)-, hydrochloride

Structural Information

Molecular Formula
C19H24N2O2
SMILES
C1CCN(CC1)CCC(=O)N2CCC3=C(C2)C4=CC=CC=C4O3
InChI
InChI=1S/C19H24N2O2/c22-19(9-12-20-10-4-1-5-11-20)21-13-8-18-16(14-21)15-6-2-3-7-17(15)23-18/h2-3,6-7H,1,4-5,8-14H2
InChIKey
MIQVGLSXBWZTGD-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 174.3
[M+Na]+ 335.17300 179.0
[M-H]- 311.17650 179.1
[M+NH4]+ 330.21760 188.0
[M+K]+ 351.14694 175.1
[M+H-H2O]+ 295.18104 164.6
[M+HCOO]- 357.18198 187.4
[M+CH3COO]- 371.19763 183.5
[M+Na-2H]- 333.15845 176.3
[M]+ 312.18323 171.2
[M]- 312.18433 171.2
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.