CID 82533

10304-39-9

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C16H14N2O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15/h2-11,18H,1H3
InChIKey
ZSMKPYXVUIWTCT-UHFFFAOYSA-N
Compound name
4-methyl-N-quinolin-8-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

66
Patents

298.0776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.084876 165.8
[M+Na]+ 321.066818 175.0
[M-H]- 297.070324 172.4
[M+NH4]+ 316.111423 180.8
[M+K]+ 337.040758 169.2
[M+H-H2O]+ 281.074860 157.7
[M+HCOO]- 343.075801 183.1
[M+CH3COO]- 357.091451 177.4
[M+Na-2H]- 319.052266 173.3
[M]+ 298.07705142 168.1
[M]- 298.07814858 168.1
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

patents stripe