CID 365611

Nsc633412

Structural Information

Molecular Formula
C29H33N5
SMILES
C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCCN5CCN(CC5)C6=CC=CC=C6
InChI
InChI=1S/C29H33N5/c1-2-9-24(10-3-1)33-20-18-32(19-21-33)15-7-16-34-17-13-26-25-11-4-5-12-27(25)31-28(26)29(34)23-8-6-14-30-22-23/h1-6,8-12,14,22,29,31H,7,13,15-21H2
InChIKey
DBYIMKGTQOEJFO-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylpiperazin-1-yl)propyl]-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.2736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.28088 216.7
[M+Na]+ 474.26282 233.3
[M+NH4]+ 469.30742 224.4
[M+K]+ 490.23676 223.8
[M-H]- 450.26632 224.0
[M+Na-2H]- 472.24827 225.3
[M]+ 451.27305 221.3
[M]- 451.27415 221.3
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.