CID 2738376

(4-chlorophenyl)-n-(3-pyridinylmethyl)methanesulfonamide

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
C1=CC(=CN=C1)CNS(=O)(=O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H13ClN2O2S/c14-13-5-3-11(4-6-13)10-19(17,18)16-9-12-2-1-7-15-8-12/h1-8,16H,9-10H2
InChIKey
GSFSNPHKTVYHJU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.03864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.045916 163.0
[M+Na]+ 319.027858 171.8
[M-H]- 295.031364 168.6
[M+NH4]+ 314.072463 177.9
[M+K]+ 335.001798 165.5
[M+H-H2O]+ 279.035900 155.8
[M+HCOO]- 341.036841 177.0
[M+CH3COO]- 355.052491 198.0
[M+Na-2H]- 317.013306 168.7
[M]+ 296.03809142 167.0
[M]- 296.03918858 167.0
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.