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 214.2
[M+Na]+ 467.27812 215.2
[M-H]- 443.28162 219.1
[M+NH4]+ 462.32272 220.7
[M+K]+ 483.25206 211.1
[M+H-H2O]+ 427.28616 200.2
[M+HCOO]- 489.28710 221.5
[M+CH3COO]- 503.30275 217.9
[M+Na-2H]- 465.26357 213.8
[M]+ 444.28835 202.9
[M]- 444.28945 202.9
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.