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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 177.6
[M+Na]+ 336.20464 183.3
[M-H]- 312.20814 181.1
[M+NH4]+ 331.24924 190.2
[M+K]+ 352.17858 178.5
[M+H-H2O]+ 296.21268 166.7
[M+HCOO]- 358.21362 189.8
[M+CH3COO]- 372.22927 186.3
[M+Na-2H]- 334.19009 179.5
[M]+ 313.21487 175.2
[M]- 313.21597 175.2
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.