CID 34114

28028-00-4

Structural Information

Molecular Formula
C25H32N4O
SMILES
CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)N
InChI
InChI=1S/C25H32N4O/c1-27(2)25(24(26)30)14-18-28(19-15-25)16-7-17-29-22-10-5-3-8-20(22)12-13-21-9-4-6-11-23(21)29/h3-6,8-13H,7,14-19H2,1-2H3,(H2,26,30)
InChIKey
QLBJERFKRBVDSN-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-(dimethylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2576 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 200.1
[M+Na]+ 427.24682 209.9
[M+NH4]+ 422.29142 208.0
[M+K]+ 443.22076 201.5
[M-H]- 403.25032 204.8
[M+Na-2H]- 425.23227 206.4
[M]+ 404.25705 202.9
[M]- 404.25815 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.