CID 476609

1-(benzenesulfonyl)-2h-quinoline-2-carbonitrile

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C16H12N2O2S/c17-12-14-11-10-13-6-4-5-9-16(13)18(14)21(19,20)15-7-2-1-3-8-15/h1-11,14H
InChIKey
YYBXDTOHRABDAB-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.06195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 176.9
[M+Na]+ 319.05117 188.4
[M-H]- 295.05467 182.0
[M+NH4]+ 314.09577 190.5
[M+K]+ 335.02511 180.9
[M+H-H2O]+ 279.05921 162.8
[M+HCOO]- 341.06015 188.6
[M+CH3COO]- 355.07580 186.4
[M+Na-2H]- 317.03662 181.2
[M]+ 296.06140 172.9
[M]- 296.06250 172.9
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.