CID 365612

Nsc633413

Structural Information

Molecular Formula
C29H32ClN5
SMILES
C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCCN5CCN(CC5)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C29H32ClN5/c30-23-7-3-8-24(20-23)34-18-16-33(17-19-34)13-5-14-35-15-11-26-25-9-1-2-10-27(25)32-28(26)29(35)22-6-4-12-31-21-22/h1-4,6-10,12,20-21,29,32H,5,11,13-19H2
InChIKey
SWRGZBWFGHMEOU-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-chlorophenyl)piperazin-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

485.23462 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.24190 223.7
[M+Na]+ 508.22384 241.6
[M+NH4]+ 503.26844 231.7
[M+K]+ 524.19778 231.2
[M-H]- 484.22734 231.2
[M+Na-2H]- 506.20929 232.1
[M]+ 485.23407 228.9
[M]- 485.23517 228.9
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.