CID 468305

Chembl151192

Structural Information

Molecular Formula
C21H26N6O3S
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI
InChI=1S/C21H26N6O3S/c1-3-22-18-5-4-8-23-20(18)26-9-11-27(12-10-26)21(28)19-14-15-13-16(25-31(2,29)30)6-7-17(15)24-19/h4-8,13-14,22,24-25H,3,9-12H2,1-2H3
InChIKey
VLRUPVDWIXYKGR-UHFFFAOYSA-N
Compound name
N-[2-[4-[3-(ethylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.1787 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.18598 202.5
[M+Na]+ 465.16792 208.6
[M-H]- 441.17142 206.9
[M+NH4]+ 460.21252 208.1
[M+K]+ 481.14186 201.6
[M+H-H2O]+ 425.17596 192.8
[M+HCOO]- 487.17690 212.5
[M+CH3COO]- 501.19255 209.1
[M+Na-2H]- 463.15337 204.7
[M]+ 442.17815 202.1
[M]- 442.17925 202.1
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.