CID 207668

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(3-(4-methyl-1-piperazino)propyl)-, trihydrochloride

Structural Information

Molecular Formula
C24H33N3
SMILES
CN1CCN(CC1)CCCN2CC3=CC=CC=C3CCC4=CC=CC=C4C2
InChI
InChI=1S/C24H33N3/c1-25-15-17-26(18-16-25)13-6-14-27-19-23-9-4-2-7-21(23)11-12-22-8-3-5-10-24(22)20-27/h2-5,7-10H,6,11-20H2,1H3
InChIKey
UATZOOGSENRGPY-UHFFFAOYSA-N
Compound name
6-[3-(4-methylpiperazin-1-yl)propyl]-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.26746 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.27474 199.9
[M+Na]+ 386.25668 196.9
[M-H]- 362.26018 197.8
[M+NH4]+ 381.30128 198.0
[M+K]+ 402.23062 196.9
[M+H-H2O]+ 346.26472 189.4
[M+HCOO]- 408.26566 198.6
[M+CH3COO]- 422.28131 199.2
[M+Na-2H]- 384.24213 199.9
[M]+ 363.26691 198.2
[M]- 363.26801 198.2
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.