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]+ 287.211776 169.8
[M+Na]+ 309.193718 172.6
[M-H]- 285.197224 172.4
[M+NH4]+ 304.238323 185.9
[M+K]+ 325.167658 167.9
[M+H-H2O]+ 269.201760 159.7
[M+HCOO]- 331.202701 181.9
[M+CH3COO]- 345.218351 178.2
[M+Na-2H]- 307.179166 171.2
[M]+ 286.20395142 164.6
[M]- 286.20504858 164.6
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.