CID 511963

N-[2-(3,4-dichlorophenyl)ethyl]-5-methylsulfonyl-pyridin-2-amine

Structural Information

Molecular Formula
C14H14Cl2N2O2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)NCCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H14Cl2N2O2S/c1-21(19,20)11-3-5-14(18-9-11)17-7-6-10-2-4-12(15)13(16)8-10/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKey
YCBMUHRXBONUFH-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dichlorophenyl)ethyl]-5-methylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.0153 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02258 172.9
[M+Na]+ 367.00452 183.0
[M-H]- 343.00802 178.4
[M+NH4]+ 362.04912 186.9
[M+K]+ 382.97846 175.7
[M+H-H2O]+ 327.01256 166.6
[M+HCOO]- 389.01350 181.3
[M+CH3COO]- 403.02915 207.6
[M+Na-2H]- 364.98997 176.0
[M]+ 344.01475 179.1
[M]- 344.01585 179.1
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

No patent data available for this compound.