CID 34112

28027-99-8

Structural Information

Molecular Formula
C28H36N4O
SMILES
C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N
InChI
InChI=1S/C28H36N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-14H,1,6-8,15-22H2,(H2,29,33)
InChIKey
VKWKEWPYSSOZHF-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2889 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.29618 215.1
[M+Na]+ 467.27812 225.3
[M+NH4]+ 462.32272 222.8
[M+K]+ 483.25206 215.6
[M-H]- 443.28162 220.5
[M+Na-2H]- 465.26357 221.2
[M]+ 444.28835 218.2
[M]- 444.28945 218.2
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.