CID 207484

6-(1-methyl-3-piperidylmethyl)-5,7,12,13-tetrahydro-6h-dibenz(c,g)azonine hydrochloride

Structural Information

Molecular Formula
C23H30N2
SMILES
CN1CCCC(C1)CN2CC3=CC=CC=C3CCC4=CC=CC=C4C2
InChI
InChI=1S/C23H30N2/c1-24-14-6-7-19(15-24)16-25-17-22-10-4-2-8-20(22)12-13-21-9-3-5-11-23(21)18-25/h2-5,8-11,19H,6-7,12-18H2,1H3
InChIKey
UYETULZEPUACKA-UHFFFAOYSA-N
Compound name
6-[(1-methylpiperidin-3-yl)methyl]-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 197.6
[M+Na]+ 357.23012 194.7
[M-H]- 333.23362 195.6
[M+NH4]+ 352.27472 195.8
[M+K]+ 373.20406 194.8
[M+H-H2O]+ 317.23816 187.1
[M+HCOO]- 379.23910 196.5
[M+CH3COO]- 393.25475 197.1
[M+Na-2H]- 355.21557 197.9
[M]+ 334.24035 196.0
[M]- 334.24145 196.0
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.