CID 137952147

7-ethylquinoline-8-sulfonamide

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CCC1=C(C2=C(C=CC=N2)C=C1)S(=O)(=O)N
InChI
InChI=1S/C11H12N2O2S/c1-2-8-5-6-9-4-3-7-13-10(9)11(8)16(12,14)15/h3-7H,2H2,1H3,(H2,12,14,15)
InChIKey
FSRSJVHJAMHORO-UHFFFAOYSA-N
Compound name
7-ethylquinoline-8-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 149.2
[M+Na]+ 259.05117 159.1
[M-H]- 235.05467 152.5
[M+NH4]+ 254.09577 167.0
[M+K]+ 275.02511 154.7
[M+H-H2O]+ 219.05921 142.8
[M+HCOO]- 281.06015 166.1
[M+CH3COO]- 295.07580 190.6
[M+Na-2H]- 257.03662 155.5
[M]+ 236.06140 151.4
[M]- 236.06250 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.