CID 214293

4-piperidinol, 4-benzyl-1-(3-(5h-dibenz(b,f)azepin-5-yl)propyl)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C29H32N2O
SMILES
C1CN(CCC1(CC2=CC=CC=C2)O)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53
InChI
InChI=1S/C29H32N2O/c32-29(23-24-9-2-1-3-10-24)17-21-30(22-18-29)19-8-20-31-27-13-6-4-11-25(27)15-16-26-12-5-7-14-28(26)31/h1-7,9-16,32H,8,17-23H2
InChIKey
QSRQYYIPYGCJDR-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-benzylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.25146 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.25874 211.9
[M+Na]+ 447.24068 215.7
[M-H]- 423.24418 218.3
[M+NH4]+ 442.28528 220.7
[M+K]+ 463.21462 210.5
[M+H-H2O]+ 407.24872 199.9
[M+HCOO]- 469.24966 223.1
[M+CH3COO]- 483.26531 217.5
[M+Na-2H]- 445.22613 214.3
[M]+ 424.25091 205.1
[M]- 424.25201 205.1
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.