CID 487005

3-amino-4-[(3,5-dichlorophenyl)methyl]-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H16Cl2N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)Cl)Cl)N)C
InChI
InChI=1S/C15H16Cl2N2O/c1-3-12-8(2)19-15(20)14(18)13(12)6-9-4-10(16)7-11(17)5-9/h4-5,7H,3,6,18H2,1-2H3,(H,19,20)
InChIKey
YOHQFXHBJPOISV-UHFFFAOYSA-N
Compound name
3-amino-4-[(3,5-dichlorophenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06396 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07124 169.1
[M+Na]+ 333.05318 180.9
[M-H]- 309.05668 173.0
[M+NH4]+ 328.09778 183.8
[M+K]+ 349.02712 172.5
[M+H-H2O]+ 293.06122 163.1
[M+HCOO]- 355.06216 181.3
[M+CH3COO]- 369.07781 205.9
[M+Na-2H]- 331.03863 169.8
[M]+ 310.06341 172.0
[M]- 310.06451 172.0
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.