CID 213494

26438-73-3

Structural Information

Molecular Formula
C29H32N2O
SMILES
COC1(CCN(CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C29H32N2O/c1-32-29(26-12-3-2-4-13-26)18-22-30(23-19-29)20-9-21-31-27-14-7-5-10-24(27)16-17-25-11-6-8-15-28(25)31/h2-8,10-17H,9,18-23H2,1H3
InChIKey
CGRLSIOJBWYCHF-UHFFFAOYSA-N
Compound name
11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.25146 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.25874 212.2
[M+Na]+ 447.24068 216.4
[M-H]- 423.24418 219.8
[M+NH4]+ 442.28528 221.6
[M+K]+ 463.21462 211.7
[M+H-H2O]+ 407.24872 199.7
[M+HCOO]- 469.24966 224.7
[M+CH3COO]- 483.26531 218.3
[M+Na-2H]- 445.22613 214.8
[M]+ 424.25091 207.0
[M]- 424.25201 207.0
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.