CID 203614

14760-56-6

Structural Information

Molecular Formula
C24H33N3O
SMILES
C1CC2=CC=CC=C2N(CC1C3=CC=CC=C3)CCN4CCN(CC4)CCO
InChI
InChI=1S/C24H33N3O/c28-19-18-26-14-12-25(13-15-26)16-17-27-20-23(21-6-2-1-3-7-21)11-10-22-8-4-5-9-24(22)27/h1-9,23,28H,10-20H2
InChIKey
IZWQHRNZQYGTJG-UHFFFAOYSA-N
Compound name
2-[4-[2-(3-phenyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.26236 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.26964 200.3
[M+Na]+ 402.25158 211.5
[M+NH4]+ 397.29618 207.0
[M+K]+ 418.22552 203.4
[M-H]- 378.25508 204.9
[M+Na-2H]- 400.23703 206.2
[M]+ 379.26181 203.2
[M]- 379.26291 203.2
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.