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]+ 237.069226 149.2
[M+Na]+ 259.051168 159.1
[M-H]- 235.054674 152.5
[M+NH4]+ 254.095773 167.0
[M+K]+ 275.025108 154.7
[M+H-H2O]+ 219.059210 142.8
[M+HCOO]- 281.060151 166.1
[M+CH3COO]- 295.075801 190.6
[M+Na-2H]- 257.036616 155.5
[M]+ 236.06140142 151.4
[M]- 236.06249858 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.