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 197.3
[M+Na]+ 402.25158 198.7
[M-H]- 378.25508 201.0
[M+NH4]+ 397.29618 203.9
[M+K]+ 418.22552 195.5
[M+H-H2O]+ 362.25962 184.9
[M+HCOO]- 424.26056 206.5
[M+CH3COO]- 438.27621 202.5
[M+Na-2H]- 400.23703 197.2
[M]+ 379.26181 188.0
[M]- 379.26291 188.0
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.