CID 41274

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

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCN(CC)CCC(=O)C1CCC2=C(C1)C3=C(O2)C=CN=C3
InChI
InChI=1S/C18H24N2O2/c1-3-20(4-2)10-8-16(21)13-5-6-17-14(11-13)15-12-19-9-7-18(15)22-17/h7,9,12-13H,3-6,8,10-11H2,1-2H3
InChIKey
VDTRQBSSKXJXFX-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 171.5
[M+Na]+ 323.17300 183.2
[M+NH4]+ 318.21760 179.8
[M+K]+ 339.14694 178.1
[M-H]- 299.17650 175.6
[M+Na-2H]- 321.15845 175.2
[M]+ 300.18323 174.3
[M]- 300.18433 174.3
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.