CID 133112

Ly 302148

Structural Information

Molecular Formula
C19H23FN4
SMILES
CN1C=C(C=N1)CCN2CCC(CC2)C3=CNC4=C3C=C(C=C4)F
InChI
InChI=1S/C19H23FN4/c1-23-13-14(11-22-23)4-7-24-8-5-15(6-9-24)18-12-21-19-3-2-16(20)10-17(18)19/h2-3,10-13,15,21H,4-9H2,1H3
InChIKey
RFIDURCIAHBFRJ-UHFFFAOYSA-N
Compound name
5-fluoro-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

326.19067 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19795 179.9
[M+Na]+ 349.17989 192.7
[M+NH4]+ 344.22449 186.8
[M+K]+ 365.15383 188.3
[M-H]- 325.18339 182.3
[M+Na-2H]- 347.16534 185.8
[M]+ 326.19012 182.2
[M]- 326.19122 182.2
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

patents stripe