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 169.8
[M+Na]+ 309.19372 172.6
[M-H]- 285.19722 172.4
[M+NH4]+ 304.23832 185.9
[M+K]+ 325.16766 167.9
[M+H-H2O]+ 269.20176 159.7
[M+HCOO]- 331.20270 181.9
[M+CH3COO]- 345.21835 178.2
[M+Na-2H]- 307.17917 171.2
[M]+ 286.20395 164.6
[M]- 286.20505 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.