CID 5311258

182563-08-2

Structural Information

Molecular Formula
C21H22FN3O
SMILES
CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
InChIKey
MDMJLMDBRQXOOI-UHFFFAOYSA-N
Compound name
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

58
Patents

351.17468 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18196 183.3
[M+Na]+ 374.16390 189.7
[M-H]- 350.16740 188.5
[M+NH4]+ 369.20850 195.0
[M+K]+ 390.13784 182.1
[M+H-H2O]+ 334.17194 172.3
[M+HCOO]- 396.17288 199.4
[M+CH3COO]- 410.18853 192.0
[M+Na-2H]- 372.14935 183.7
[M]+ 351.17413 178.0
[M]- 351.17523 178.0
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