CID 13077386

3,5-dichloro-n-(3,4-dimethoxybenzyl)-2,6-dimethyl-4-pyridinamine hydrochloride

Structural Information

Molecular Formula
C16H18Cl2N2O2
SMILES
CC1=C(C(=C(C(=N1)C)Cl)NCC2=CC(=C(C=C2)OC)OC)Cl
InChI
InChI=1S/C16H18Cl2N2O2/c1-9-14(17)16(15(18)10(2)20-9)19-8-11-5-6-12(21-3)13(7-11)22-4/h5-7H,8H2,1-4H3,(H,19,20)
InChIKey
HACINBGEWQKFRV-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.07452 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08180 176.0
[M+Na]+ 363.06374 187.2
[M-H]- 339.06724 181.5
[M+NH4]+ 358.10834 190.4
[M+K]+ 379.03768 181.1
[M+H-H2O]+ 323.07178 168.9
[M+HCOO]- 385.07272 189.9
[M+CH3COO]- 399.08837 214.5
[M+Na-2H]- 361.04919 177.7
[M]+ 340.07397 184.0
[M]- 340.07507 184.0
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.