CID 91936840

1776086-01-1

Structural Information

Molecular Formula
C20H21FN2O
SMILES
C1=CC=C(C=C1)NC(=O)C2=CN(C3=CC=CC=C32)CCCCCF
InChI
InChI=1S/C20H21FN2O/c21-13-7-2-8-14-23-15-18(17-11-5-6-12-19(17)23)20(24)22-16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,22,24)
InChIKey
FZYJALPWLNXEIP-UHFFFAOYSA-N
Compound name
1-(5-fluoropentyl)-N-phenylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1638 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.171076 177.0
[M+Na]+ 347.153018 184.3
[M-H]- 323.156524 181.8
[M+NH4]+ 342.197623 192.2
[M+K]+ 363.126958 177.9
[M+H-H2O]+ 307.161060 167.0
[M+HCOO]- 369.162001 199.4
[M+CH3COO]- 383.177651 211.0
[M+Na-2H]- 345.138466 180.4
[M]+ 324.16325142 178.7
[M]- 324.16434858 178.7
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

No patent data available for this compound.