CID 468310

Chembl151173

Structural Information

Molecular Formula
C21H25N5O4S
SMILES
CCOC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI
InChI=1S/C21H25N5O4S/c1-3-30-19-5-4-8-22-20(19)25-9-11-26(12-10-25)21(27)18-14-15-13-16(24-31(2,28)29)6-7-17(15)23-18/h4-8,13-14,23-24H,3,9-12H2,1-2H3
InChIKey
CDYOSYIBNOUGKP-UHFFFAOYSA-N
Compound name
N-[2-[4-(3-ethoxypyridin-2-yl)piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17000 203.6
[M+Na]+ 466.15194 210.2
[M-H]- 442.15544 208.0
[M+NH4]+ 461.19654 209.3
[M+K]+ 482.12588 203.9
[M+H-H2O]+ 426.15998 193.9
[M+HCOO]- 488.16092 212.7
[M+CH3COO]- 502.17657 226.1
[M+Na-2H]- 464.13739 204.8
[M]+ 443.16217 205.1
[M]- 443.16327 205.1
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.