CID 511955

N-[(4-chlorophenyl)methyl]-5-methylsulfonyl-pyridin-2-amine

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H13ClN2O2S/c1-19(17,18)12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKey
LWODCEZDAZRHME-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.03864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 163.1
[M+Na]+ 319.02786 172.8
[M-H]- 295.03136 169.1
[M+NH4]+ 314.07246 178.3
[M+K]+ 335.00180 166.5
[M+H-H2O]+ 279.03590 156.2
[M+HCOO]- 341.03684 177.0
[M+CH3COO]- 355.05249 199.2
[M+Na-2H]- 317.01331 168.1
[M]+ 296.03809 167.5
[M]- 296.03919 167.5
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.