CID 489422

1-[5-fluoroindolyl-2-carbonyl]-4-[3-(propylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C21H24FN5O
SMILES
CCCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C21H24FN5O/c1-2-7-23-18-4-3-8-24-20(18)26-9-11-27(12-10-26)21(28)19-14-15-13-16(22)5-6-17(15)25-19/h3-6,8,13-14,23,25H,2,7,9-12H2,1H3
InChIKey
BZBWOLIPHWTXET-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)-[4-[3-(propylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.1965 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20378 192.0
[M+Na]+ 404.18572 198.3
[M-H]- 380.18922 194.5
[M+NH4]+ 399.23032 199.6
[M+K]+ 420.15966 190.1
[M+H-H2O]+ 364.19376 179.2
[M+HCOO]- 426.19470 205.3
[M+CH3COO]- 440.21035 199.1
[M+Na-2H]- 402.17117 192.4
[M]+ 381.19595 187.7
[M]- 381.19705 187.7
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

patents stripe