CID 205543

5,6,7,12-tetrahydro-6-(3-(4-methyl-1-piperazinyl)propyl)-dibenz(c,f)azocine maleate (1:3)

Structural Information

Molecular Formula
C23H31N3
SMILES
CN1CCN(CC1)CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2
InChI
InChI=1S/C23H31N3/c1-24-13-15-25(16-14-24)11-6-12-26-18-22-9-4-2-7-20(22)17-21-8-3-5-10-23(21)19-26/h2-5,7-10H,6,11-19H2,1H3
InChIKey
JTRKMZCLVWAKRU-UHFFFAOYSA-N
Compound name
11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.25908 176.1
[M+Na]+ 372.24102 179.3
[M-H]- 348.24452 177.0
[M+NH4]+ 367.28562 180.7
[M+K]+ 388.21496 176.9
[M+H-H2O]+ 332.24906 169.3
[M+HCOO]- 394.25000 180.5
[M+CH3COO]- 408.26565 178.1
[M+Na-2H]- 370.22647 174.6
[M]+ 349.25125 173.4
[M]- 349.25235 173.4
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.