CID 3075531

184691-73-4

Structural Information

Molecular Formula
C25H28ClN5O2
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C25H28ClN5O2/c26-18-3-1-4-19(16-18)31-13-11-30(12-14-31)10-2-8-27-24(32)17-5-6-22-21(15-17)20-7-9-28-25(33)23(20)29-22/h1,3-6,15-16,29H,2,7-14H2,(H,27,32)(H,28,33)
InChIKey
AYSQAYJZYAYYRQ-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.19315 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.20043 212.5
[M+Na]+ 488.18237 225.5
[M+NH4]+ 483.22697 218.3
[M+K]+ 504.15631 218.8
[M-H]- 464.18587 216.4
[M+Na-2H]- 486.16782 216.8
[M]+ 465.19260 215.5
[M]- 465.19370 215.5
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.