CID 207626

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(2-pyrrolidinoethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H28N2
SMILES
C1CCN(C1)CCN2CC3=CC=CC=C3CCC4=CC=CC=C4C2
InChI
InChI=1S/C22H28N2/c1-3-9-21-17-24(16-15-23-13-5-6-14-23)18-22-10-4-2-8-20(22)12-11-19(21)7-1/h1-4,7-10H,5-6,11-18H2
InChIKey
SLWOTCRFZVNAFL-UHFFFAOYSA-N
Compound name
6-(2-pyrrolidin-1-ylethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.232526 196.8
[M+Na]+ 343.214468 194.6
[M-H]- 319.217974 195.1
[M+NH4]+ 338.259073 195.3
[M+K]+ 359.188408 194.4
[M+H-H2O]+ 303.222510 186.7
[M+HCOO]- 365.223451 196.0
[M+CH3COO]- 379.239101 196.6
[M+Na-2H]- 341.199916 197.4
[M]+ 320.22470142 195.5
[M]- 320.22579858 195.5
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.