CID 66547073

Chembl4522563

Structural Information

Molecular Formula
C21H17FN2O2S
SMILES
C1=CC=C2C(=C1)C=C(N2)S(=O)(=O)NCC3=CC=C(C=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H17FN2O2S/c22-19-11-9-17(10-12-19)16-7-5-15(6-8-16)14-23-27(25,26)21-13-18-3-1-2-4-20(18)24-21/h1-13,23-24H,14H2
InChIKey
ZYXQIXCJTWOQOB-UHFFFAOYSA-N
Compound name
N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.0995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10678 187.0
[M+Na]+ 403.08872 196.9
[M-H]- 379.09222 194.7
[M+NH4]+ 398.13332 199.8
[M+K]+ 419.06266 188.6
[M+H-H2O]+ 363.09676 178.0
[M+HCOO]- 425.09770 203.8
[M+CH3COO]- 439.11335 197.3
[M+Na-2H]- 401.07417 191.1
[M]+ 380.09895 188.6
[M]- 380.10005 188.6
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

No patent data available for this compound.