CID 462967

1-[(5-methanesulfonamidoindol-2-yl)carbonyl]-4-[n-propyl-n-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine

Structural Information

Molecular Formula
C27H38N6O3S
SMILES
CCCN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=CC=N4)NC(C)(C)C
InChI
InChI=1S/C27H38N6O3S/c1-6-14-33(25-23(8-7-13-28-25)30-27(2,3)4)21-11-15-32(16-12-21)26(34)24-18-19-17-20(31-37(5,35)36)9-10-22(19)29-24/h7-10,13,17-18,21,29-31H,6,11-12,14-16H2,1-5H3
InChIKey
INKGYVWYKROPLW-UHFFFAOYSA-N
Compound name
N-[2-[4-[[3-(tert-butylamino)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

526.2726 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.27988 225.3
[M+Na]+ 549.26182 227.7
[M-H]- 525.26532 231.3
[M+NH4]+ 544.30642 229.0
[M+K]+ 565.23576 222.6
[M+H-H2O]+ 509.26986 215.5
[M+HCOO]- 571.27080 234.4
[M+CH3COO]- 585.28645 251.7
[M+Na-2H]- 547.24727 227.0
[M]+ 526.27205 226.2
[M]- 526.27315 226.2
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.