CID 6479601

Chembl56901

Structural Information

Molecular Formula
C22H17ClN2O2S
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)C(=CC=C2)/C=C/C3=NC4=C(C=C3)C=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2O2S/c1-28(26,27)25-20-10-11-21-15(3-2-4-16(21)14-20)5-8-19-9-6-17-13-18(23)7-12-22(17)24-19/h2-14,25H,1H3/b8-5+
InChIKey
XAFLJEHXFSAZAZ-VMPITWQZSA-N
Compound name
N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.06992 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07720 194.6
[M+Na]+ 431.05914 205.9
[M-H]- 407.06264 202.1
[M+NH4]+ 426.10374 207.2
[M+K]+ 447.03308 196.9
[M+H-H2O]+ 391.06718 186.1
[M+HCOO]- 453.06812 206.5
[M+CH3COO]- 467.08377 204.7
[M+Na-2H]- 429.04459 201.5
[M]+ 408.06937 201.3
[M]- 408.07047 201.3
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.