CID 511958

2-pyridinamine, n-[(3,4-dichlorophenyl)methyl]-5-(methylsulfonyl)-

Structural Information

Molecular Formula
C13H12Cl2N2O2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)NCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2O2S/c1-20(18,19)10-3-5-13(17-8-10)16-7-9-2-4-11(14)12(15)6-9/h2-6,8H,7H2,1H3,(H,16,17)
InChIKey
ASNDSDNYDJBYRT-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00694 168.6
[M+Na]+ 352.98888 179.1
[M-H]- 328.99238 174.3
[M+NH4]+ 348.03348 183.1
[M+K]+ 368.96282 172.0
[M+H-H2O]+ 312.99692 162.5
[M+HCOO]- 374.99786 177.3
[M+CH3COO]- 389.01351 204.7
[M+Na-2H]- 350.97433 172.1
[M]+ 329.99911 174.4
[M]- 330.00021 174.4
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.