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 191.4
[M+Na]+ 390.21520 195.1
[M-H]- 366.21870 195.6
[M+NH4]+ 385.25980 199.6
[M+K]+ 406.18914 189.6
[M+H-H2O]+ 350.22324 179.7
[M+HCOO]- 412.22418 202.9
[M+CH3COO]- 426.23983 198.5
[M+Na-2H]- 388.20065 191.1
[M]+ 367.22543 188.4
[M]- 367.22653 188.4
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.