CID 214287

4-piperidinol, 1-(3-(10,11-dihydro-5h-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C28H32N2O
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)(C5=CC=CC=C5)O
InChI
InChI=1S/C28H32N2O/c31-28(25-11-2-1-3-12-25)17-21-29(22-18-28)19-8-20-30-26-13-6-4-9-23(26)15-16-24-10-5-7-14-27(24)30/h1-7,9-14,31H,8,15-22H2
InChIKey
POWIKKDOVQYZOS-UHFFFAOYSA-N
Compound name
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.25146 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 208.1
[M+Na]+ 435.24068 211.4
[M-H]- 411.24418 214.4
[M+NH4]+ 430.28528 217.4
[M+K]+ 451.21462 206.4
[M+H-H2O]+ 395.24872 196.2
[M+HCOO]- 457.24966 218.3
[M+CH3COO]- 471.26531 213.7
[M+Na-2H]- 433.22613 210.1
[M]+ 412.25091 199.8
[M]- 412.25201 199.8
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.