CID 3052111

4-benzyl-6-methyl-7-(3-(1-piperazinyl)propoxy)-1,3-dihydrofuro(3,4-c)pyridine dihydrochloride

Structural Information

Molecular Formula
C22H29N3O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCN4CCNCC4
InChI
InChI=1S/C22H29N3O2/c1-17-22(27-13-5-10-25-11-8-23-9-12-25)20-16-26-15-19(20)21(24-17)14-18-6-3-2-4-7-18/h2-4,6-7,23H,5,8-16H2,1H3
InChIKey
UCGSZMPUNBLNQY-UHFFFAOYSA-N
Compound name
4-benzyl-6-methyl-7-(3-piperazin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 193.2
[M+Na]+ 390.21520 206.1
[M+NH4]+ 385.25980 200.3
[M+K]+ 406.18914 199.7
[M-H]- 366.21870 198.8
[M+Na-2H]- 388.20065 198.5
[M]+ 367.22543 196.5
[M]- 367.22653 196.5
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.