CID 511962

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

Structural Information

Molecular Formula
C14H15ClN2O2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)NCCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H15ClN2O2S/c1-20(18,19)13-6-7-14(17-10-13)16-9-8-11-2-4-12(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKey
KGXMTGWKVRKWAV-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]-5-methylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.0543 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06158 167.5
[M+Na]+ 333.04352 176.7
[M-H]- 309.04702 173.3
[M+NH4]+ 328.08812 182.2
[M+K]+ 349.01746 170.3
[M+H-H2O]+ 293.05156 160.3
[M+HCOO]- 355.05250 181.1
[M+CH3COO]- 369.06815 202.1
[M+Na-2H]- 331.02897 172.0
[M]+ 310.05375 172.2
[M]- 310.05485 172.2
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.