CID 34199

28275-34-5

Structural Information

Molecular Formula
C28H35ClN4O
SMILES
C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4C=CC5=C3C=C(C=C5)Cl)C(=O)N
InChI
InChI=1S/C28H35ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-12,21H,1,4-6,13-20H2,(H2,30,34)
InChIKey
YURNMXXCJHPIJU-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.24994 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.25722 219.9
[M+Na]+ 501.23916 231.2
[M+NH4]+ 496.28376 227.8
[M+K]+ 517.21310 220.8
[M-H]- 477.24266 225.4
[M+Na-2H]- 499.22461 225.8
[M]+ 478.24939 223.4
[M]- 478.25049 223.4
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.