CID 6479586

Chembl293998

Structural Information

Molecular Formula
C23H17F3N2O2S
SMILES
CC1=CC2=C(C=C1)N=C(C=C2)/C=C/C3=CC=CC4=C3C=CC(=C4)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C23H17F3N2O2S/c1-15-5-12-22-18(13-15)7-9-19(27-22)8-6-16-3-2-4-17-14-20(10-11-21(16)17)28-31(29,30)23(24,25)26/h2-14,28H,1H3/b8-6+
InChIKey
FIDJZFZEZZSPRA-SOFGYWHQSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-(6-methylquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.09628 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10356 203.4
[M+Na]+ 465.08550 214.0
[M-H]- 441.08900 206.7
[M+NH4]+ 460.13010 213.5
[M+K]+ 481.05944 205.0
[M+H-H2O]+ 425.09354 191.4
[M+HCOO]- 487.09448 214.5
[M+CH3COO]- 501.11013 229.3
[M+Na-2H]- 463.07095 209.5
[M]+ 442.09573 204.4
[M]- 442.09683 204.4
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.