CID 489464

1-[indolyl-2-carbonyl]-4-[3-(2-fluoroethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C20H22FN5O
SMILES
C1CN(CCN1C2=C(C=CC=N2)NCCF)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C20H22FN5O/c21-7-9-22-17-6-3-8-23-19(17)25-10-12-26(13-11-25)20(27)18-14-15-4-1-2-5-16(15)24-18/h1-6,8,14,22,24H,7,9-13H2
InChIKey
RZQJYMVEAFLCLJ-UHFFFAOYSA-N
Compound name
[4-[3-(2-fluoroethylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.18085 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18813 186.2
[M+Na]+ 390.17007 192.0
[M-H]- 366.17357 188.5
[M+NH4]+ 385.21467 194.1
[M+K]+ 406.14401 184.1
[M+H-H2O]+ 350.17811 173.3
[M+HCOO]- 412.17905 199.9
[M+CH3COO]- 426.19470 193.4
[M+Na-2H]- 388.15552 188.0
[M]+ 367.18030 181.2
[M]- 367.18140 181.2
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.