CID 158449

2-pyridinamine, 5-(4-chlorophenyl)-4,6-dimethyl-

Structural Information

Molecular Formula
C13H13ClN2
SMILES
CC1=CC(=NC(=C1C2=CC=C(C=C2)Cl)C)N
InChI
InChI=1S/C13H13ClN2/c1-8-7-12(15)16-9(2)13(8)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H2,15,16)
InChIKey
XCCJQVPYOUTWHA-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4,6-dimethylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.07672 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.083996 151.1
[M+Na]+ 255.065938 161.9
[M-H]- 231.069444 156.7
[M+NH4]+ 250.110543 168.8
[M+K]+ 271.039878 155.8
[M+H-H2O]+ 215.073980 144.2
[M+HCOO]- 277.074921 170.2
[M+CH3COO]- 291.090571 194.2
[M+Na-2H]- 253.051386 155.6
[M]+ 232.07617142 152.3
[M]- 232.07726858 152.3
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