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 213.3
[M+Na]+ 474.26282 217.0
[M-H]- 450.26632 217.6
[M+NH4]+ 469.30742 216.5
[M+K]+ 490.23676 205.8
[M+H-H2O]+ 434.27086 197.4
[M+HCOO]- 496.27180 220.5
[M+CH3COO]- 510.28745 217.2
[M+Na-2H]- 472.24827 212.4
[M]+ 451.27305 206.1
[M]- 451.27415 206.1
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.