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]+ 233.08400 151.1
[M+Na]+ 255.06594 161.9
[M-H]- 231.06944 156.7
[M+NH4]+ 250.11054 168.8
[M+K]+ 271.03988 155.8
[M+H-H2O]+ 215.07398 144.2
[M+HCOO]- 277.07492 170.2
[M+CH3COO]- 291.09057 194.2
[M+Na-2H]- 253.05139 155.6
[M]+ 232.07617 152.3
[M]- 232.07727 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