CID 486927

5-chloro-3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC=C2Cl)N(C)C)C
InChI
InChI=1S/C16H19ClN2O/c1-10-5-11(2)7-12(6-10)8-13-14(17)9-18-16(20)15(13)19(3)4/h5-7,9H,8H2,1-4H3,(H,18,20)
InChIKey
OPARJYZSAQUSCR-UHFFFAOYSA-N
Compound name
5-chloro-3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 166.2
[M+Na]+ 313.10782 176.5
[M-H]- 289.11132 172.4
[M+NH4]+ 308.15242 181.9
[M+K]+ 329.08176 170.7
[M+H-H2O]+ 273.11586 158.9
[M+HCOO]- 335.11680 184.4
[M+CH3COO]- 349.13245 207.2
[M+Na-2H]- 311.09327 168.3
[M]+ 290.11805 170.1
[M]- 290.11915 170.1
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.