CID 214297

5h-dibenz(b,f)azepine, 10,11-dihydro-5-(3-(4-piperidinopiperidino)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C27H37N3
SMILES
C1CCN(CC1)C2CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C27H37N3/c1-6-18-29(19-7-1)25-15-21-28(22-16-25)17-8-20-30-26-11-4-2-9-23(26)13-14-24-10-3-5-12-27(24)30/h2-5,9-12,25H,1,6-8,13-22H2
InChIKey
BWCMTADQXQQVCK-UHFFFAOYSA-N
Compound name
11-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-5,6-dihydrobenzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.29874 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.30602 204.8
[M+Na]+ 426.28796 205.0
[M-H]- 402.29146 209.4
[M+NH4]+ 421.33256 211.5
[M+K]+ 442.26190 200.1
[M+H-H2O]+ 386.29600 191.3
[M+HCOO]- 448.29694 211.2
[M+CH3COO]- 462.31259 208.8
[M+Na-2H]- 424.27341 203.9
[M]+ 403.29819 192.6
[M]- 403.29929 192.6
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.