CID 402911

4-methyl-n-pyridin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2
InChI
InChI=1S/C12H12N2O2S/c1-10-5-7-11(8-6-10)17(15,16)14-12-4-2-3-9-13-12/h2-9H,1H3,(H,13,14)
InChIKey
QOEDVXAZNHMVLV-UHFFFAOYSA-N
Compound name
4-methyl-N-pyridin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

248.06195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 152.7
[M+Na]+ 271.05117 161.4
[M-H]- 247.05467 158.6
[M+NH4]+ 266.09577 168.7
[M+K]+ 287.02511 156.8
[M+H-H2O]+ 231.05921 145.1
[M+HCOO]- 293.06015 171.6
[M+CH3COO]- 307.07580 191.3
[M+Na-2H]- 269.03662 159.3
[M]+ 248.06140 154.3
[M]- 248.06250 154.3
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

patents stripe