CID 489438

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

Structural Information

Molecular Formula
C19H20FN5O
SMILES
CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C19H20FN5O/c1-21-16-3-2-6-22-18(16)24-7-9-25(10-8-24)19(26)17-12-13-11-14(20)4-5-15(13)23-17/h2-6,11-12,21,23H,7-10H2,1H3
InChIKey
HPKQJVIQDHFWFU-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)-[4-[3-(methylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

353.1652 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17248 183.5
[M+Na]+ 376.15442 190.8
[M-H]- 352.15792 186.4
[M+NH4]+ 371.19902 192.3
[M+K]+ 392.12836 183.0
[M+H-H2O]+ 336.16246 171.1
[M+HCOO]- 398.16340 197.5
[M+CH3COO]- 412.17905 191.5
[M+Na-2H]- 374.13987 185.0
[M]+ 353.16465 178.6
[M]- 353.16575 178.6
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