CID 57858

100427-91-6

Structural Information

Molecular Formula

C₁₉H₂₇N₃O

SMILES

CN1CCN(CC1)CCCC2CCC3=C(C2)C4=C(O3)C=CN=C4

InChI

InChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)8-2-3-15-4-5-18-16(13-15)17-14-20-7-6-19(17)23-18/h6-7,14-15H,2-5,8-13H2,1H3

InChIKey

BYYMYKMUJRQLQR-UHFFFAOYSA-N

Compound name

8-[3-(4-methylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.21542 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.222696	177.6
[M+Na]+	336.204638	183.3
[M-H]-	312.208144	181.1
[M+NH4]+	331.249243	190.2
[M+K]+	352.178578	178.5
[M+H-H2O]+	296.212680	166.7
[M+HCOO]-	358.213621	189.8
[M+CH3COO]-	372.229271	186.3
[M+Na-2H]-	334.190086	179.5
[M]+	313.21487142	175.2
[M]-	313.21596858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.