CID 3076133

1h,5h-benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-(2-(1-pyrrolidinyl)ethoxy)-, dihydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
C1CCN(C1)CCOC2=CC3=C4C(=C2)CCCN4CCC3
InChI
InChI=1S/C18H26N2O/c1-2-8-19(7-1)11-12-21-17-13-15-5-3-9-20-10-4-6-16(14-17)18(15)20/h13-14H,1-12H2
InChIKey
YDPFTSVIVPWHTK-UHFFFAOYSA-N
Compound name
7-(2-pyrrolidin-1-ylethoxy)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 170.9
[M+Na]+ 309.19372 182.2
[M+NH4]+ 304.23832 180.6
[M+K]+ 325.16766 175.3
[M-H]- 285.19722 174.5
[M+Na-2H]- 307.17917 174.6
[M]+ 286.20395 173.4
[M]- 286.20505 173.4
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.