CID 205545

4-(3-(5,6,7,12-tetrahydro-6h-dibenz(c,f)azocin-6-yl)propyl)-1-piperazineethanol maleate (1:3)

Structural Information

Molecular Formula
C24H33N3O
SMILES
C1CN(CCN1CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2)CCO
InChI
InChI=1S/C24H33N3O/c28-17-16-26-14-12-25(13-15-26)10-5-11-27-19-23-8-3-1-6-21(23)18-22-7-2-4-9-24(22)20-27/h1-4,6-9,28H,5,10-20H2
InChIKey
VZLWJEHYUKDYMX-UHFFFAOYSA-N
Compound name
2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.26236 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.26964 178.7
[M+Na]+ 402.25158 181.5
[M-H]- 378.25508 179.1
[M+NH4]+ 397.29618 182.5
[M+K]+ 418.22552 179.0
[M+H-H2O]+ 362.25962 172.1
[M+HCOO]- 424.26056 182.4
[M+CH3COO]- 438.27621 180.3
[M+Na-2H]- 400.23703 177.0
[M]+ 379.26181 176.1
[M]- 379.26291 176.1
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.