CID 489426

1-[5-fluoroindolyl-2-methyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C21H26FN5
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)CC3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C21H26FN5/c1-15(2)24-20-4-3-7-23-21(20)27-10-8-26(9-11-27)14-18-13-16-12-17(22)5-6-19(16)25-18/h3-7,12-13,15,24-25H,8-11,14H2,1-2H3
InChIKey
HUPDAACMCJIFLU-UHFFFAOYSA-N
Compound name
2-[4-[(5-fluoro-1H-indol-2-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21722 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22450 189.6
[M+Na]+ 390.20644 195.8
[M-H]- 366.20994 192.0
[M+NH4]+ 385.25104 198.0
[M+K]+ 406.18038 187.5
[M+H-H2O]+ 350.21448 176.9
[M+HCOO]- 412.21542 202.6
[M+CH3COO]- 426.23107 196.8
[M+Na-2H]- 388.19189 190.0
[M]+ 367.21667 184.8
[M]- 367.21777 184.8
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.