CID 455407

Chembl1182786

Structural Information

Molecular Formula
C20H22FN5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C20H22FN5O/c1-2-22-17-4-3-7-23-19(17)25-8-10-26(11-9-25)20(27)18-13-14-12-15(21)5-6-16(14)24-18/h3-7,12-13,22,24H,2,8-11H2,1H3
InChIKey
LCTZLFGIAGHKPV-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.18085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18813 187.7
[M+Na]+ 390.17007 194.5
[M-H]- 366.17357 190.5
[M+NH4]+ 385.21467 196.0
[M+K]+ 406.14401 186.6
[M+H-H2O]+ 350.17811 175.2
[M+HCOO]- 412.17905 201.4
[M+CH3COO]- 426.19470 195.3
[M+Na-2H]- 388.15552 188.7
[M]+ 367.18030 183.2
[M]- 367.18140 183.2
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.