CID 214285

28027-78-3

Structural Information

Molecular Formula
C29H29N3
SMILES
C1CN(CCC1(C#N)C2=CC=CC=C2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53
InChI
InChI=1S/C29H29N3/c30-23-29(26-11-2-1-3-12-26)17-21-31(22-18-29)19-8-20-32-27-13-6-4-9-24(27)15-16-25-10-5-7-14-28(25)32/h1-7,9-16H,8,17-22H2
InChIKey
DDYOITJJFSQFNZ-UHFFFAOYSA-N
Compound name
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.23615 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24343 213.6
[M+Na]+ 442.22537 227.1
[M+NH4]+ 437.26997 219.6
[M+K]+ 458.19931 212.3
[M-H]- 418.22887 213.3
[M+Na-2H]- 440.21082 219.5
[M]+ 419.23560 215.2
[M]- 419.23670 215.2
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.