CID 462971

N-[2-({4-[[3-(ethylamino)pyridin-2-yl](propyl)amino]piperidin-1-yl}carbonyl)-1h-indol-5-yl]methanesulfonamide

Structural Information

Molecular Formula
C25H34N6O3S
SMILES
CCCN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=CC=N4)NCC
InChI
InChI=1S/C25H34N6O3S/c1-4-13-31(24-22(26-5-2)7-6-12-27-24)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,12,16-17,20,26,28-29H,4-5,10-11,13-15H2,1-3H3
InChIKey
CPLJMDKUVKHJLG-UHFFFAOYSA-N
Compound name
N-[2-[4-[[3-(ethylamino)pyridin-2-yl]-propylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

498.2413 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.24858 216.2
[M+Na]+ 521.23052 219.3
[M-H]- 497.23402 222.2
[M+NH4]+ 516.27512 220.9
[M+K]+ 537.20446 213.5
[M+H-H2O]+ 481.23856 205.9
[M+HCOO]- 543.23950 227.5
[M+CH3COO]- 557.25515 246.1
[M+Na-2H]- 519.21597 217.3
[M]+ 498.24075 217.1
[M]- 498.24185 217.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.