CID 163902

Methanesulfonamide, n-(4-chloro-2-methylphenyl)-n-(3-pyridinylmethyl)-

Structural Information

Molecular Formula
C14H15ClN2O2S
SMILES
CC1=C(C=CC(=C1)Cl)N(CC2=CN=CC=C2)S(=O)(=O)C
InChI
InChI=1S/C14H15ClN2O2S/c1-11-8-13(15)5-6-14(11)17(20(2,18)19)10-12-4-3-7-16-9-12/h3-9H,10H2,1-2H3
InChIKey
XSVILGSQGLJLBA-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.0543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06158 167.0
[M+Na]+ 333.04352 176.3
[M-H]- 309.04702 174.3
[M+NH4]+ 328.08812 182.3
[M+K]+ 349.01746 171.3
[M+H-H2O]+ 293.05156 159.6
[M+HCOO]- 355.05250 181.0
[M+CH3COO]- 369.06815 205.4
[M+Na-2H]- 331.02897 170.9
[M]+ 310.05375 173.1
[M]- 310.05485 173.1
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

patents stripe