CID 468307

Chembl356163

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CC(C)OC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C21H24N4O2/c1-15(2)27-19-8-5-9-22-20(19)24-10-12-25(13-11-24)21(26)18-14-16-6-3-4-7-17(16)23-18/h3-9,14-15,23H,10-13H2,1-2H3
InChIKey
JSKAIOMOXXDDHA-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-(3-propan-2-yloxypyridin-2-yl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.1899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 188.6
[M+Na]+ 387.17912 194.2
[M-H]- 363.18262 192.2
[M+NH4]+ 382.22372 196.7
[M+K]+ 403.15306 187.8
[M+H-H2O]+ 347.18716 176.8
[M+HCOO]- 409.18810 201.0
[M+CH3COO]- 423.20375 196.1
[M+Na-2H]- 385.16457 188.5
[M]+ 364.18935 186.1
[M]- 364.19045 186.1
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.