CID 6479585

Chembl440297

Structural Information

Molecular Formula
C22H15F3N2O2S
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC4=C3C=CC(=C4)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C22H15F3N2O2S/c23-22(24,25)30(28,29)27-19-12-13-20-15(5-3-6-17(20)14-19)8-10-18-11-9-16-4-1-2-7-21(16)26-18/h1-14,27H/b10-8+
InChIKey
ZZHRLTHFRKTIEE-CSKARUKUSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-quinolin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.08063 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08791 198.2
[M+Na]+ 451.06985 208.5
[M-H]- 427.07335 201.4
[M+NH4]+ 446.11445 208.6
[M+K]+ 467.04379 199.6
[M+H-H2O]+ 411.07789 186.3
[M+HCOO]- 473.07883 209.8
[M+CH3COO]- 487.09448 206.6
[M+Na-2H]- 449.05530 205.5
[M]+ 428.08008 198.5
[M]- 428.08118 198.5
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.