CID 213460

4-piperidinol, 1-(3-(5h-dibenz(b,f)azepin-5-yl)propyl)-4-p-tolyl-, hydrochloride, isopropanol

Structural Information

Molecular Formula
C29H32N2O
SMILES
CC1=CC=C(C=C1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)O
InChI
InChI=1S/C29H32N2O/c1-23-11-15-26(16-12-23)29(32)17-21-30(22-18-29)19-6-20-31-27-9-4-2-7-24(27)13-14-25-8-3-5-10-28(25)31/h2-5,7-16,32H,6,17-22H2,1H3
InChIKey
ACBRVTBFJXAOEI-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-(4-methylphenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.25146 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.25874 212.5
[M+Na]+ 447.24068 217.2
[M-H]- 423.24418 219.4
[M+NH4]+ 442.28528 221.6
[M+K]+ 463.21462 212.1
[M+H-H2O]+ 407.24872 200.6
[M+HCOO]- 469.24966 223.6
[M+CH3COO]- 483.26531 218.4
[M+Na-2H]- 445.22613 214.2
[M]+ 424.25091 206.2
[M]- 424.25201 206.2
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.