CID 500899

4-[2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1h-pyrrol-3-yl]pyridine

Structural Information

Molecular Formula
C21H22FN3
SMILES
CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC=C4
InChI
InChI=1S/C21H22FN3/c1-25-12-8-16(9-13-25)20-14-19(15-6-10-23-11-7-15)21(24-20)17-2-4-18(22)5-3-17/h2-7,10-11,14,16,24H,8-9,12-13H2,1H3
InChIKey
RBWNFHXBUDPAIO-UHFFFAOYSA-N
Compound name
4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

30
Patents

335.17978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18706 181.9
[M+Na]+ 358.16900 188.2
[M-H]- 334.17250 187.5
[M+NH4]+ 353.21360 191.8
[M+K]+ 374.14294 179.8
[M+H-H2O]+ 318.17704 169.2
[M+HCOO]- 380.17798 196.2
[M+CH3COO]- 394.19363 190.2
[M+Na-2H]- 356.15445 180.7
[M]+ 335.17923 174.8
[M]- 335.18033 174.8
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.