CID 3075529

184691-71-2

Structural Information

Molecular Formula
C25H29N5O2
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H29N5O2/c31-24(18-7-8-22-21(17-18)20-9-11-27-25(32)23(20)28-22)26-10-4-12-29-13-15-30(16-14-29)19-5-2-1-3-6-19/h1-3,5-8,17,28H,4,9-16H2,(H,26,31)(H,27,32)
InChIKey
NYWVACOXKGYZLK-UHFFFAOYSA-N
Compound name
1-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-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

431.23212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.23940 206.6
[M+Na]+ 454.22134 218.3
[M+NH4]+ 449.26594 212.1
[M+K]+ 470.19528 212.5
[M-H]- 430.22484 210.3
[M+Na-2H]- 452.20679 211.1
[M]+ 431.23157 208.9
[M]- 431.23267 208.9
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.