CID 3075517

1h-pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(4-phenyl-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C24H30N4
SMILES
C1CN(CC2=C1C3=CC=CC=C3N2)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H30N4/c1-2-7-20(8-3-1)28-17-15-26(16-18-28)12-6-13-27-14-11-22-21-9-4-5-10-23(21)25-24(22)19-27/h1-5,7-10,25H,6,11-19H2
InChIKey
WOAVIKWOJCHYEH-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.24704 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25432 193.6
[M+Na]+ 397.23626 197.7
[M-H]- 373.23976 196.4
[M+NH4]+ 392.28086 202.1
[M+K]+ 413.21020 188.4
[M+H-H2O]+ 357.24430 180.2
[M+HCOO]- 419.24524 203.1
[M+CH3COO]- 433.26089 199.6
[M+Na-2H]- 395.22171 194.2
[M]+ 374.24649 186.9
[M]- 374.24759 186.9
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.