CID 486878

Chembl186723

Structural Information

Molecular Formula
C17H21ClN2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=C(C=C2)Cl)N(C)C)C
InChI
InChI=1S/C17H21ClN2O/c1-5-14-11(2)19-17(21)16(20(3)4)15(14)10-12-6-8-13(18)9-7-12/h6-9H,5,10H2,1-4H3,(H,19,21)
InChIKey
YZTWKIOITCJAEM-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13425 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14153 170.9
[M+Na]+ 327.12347 180.7
[M-H]- 303.12697 176.8
[M+NH4]+ 322.16807 186.0
[M+K]+ 343.09741 174.6
[M+H-H2O]+ 287.13151 163.3
[M+HCOO]- 349.13245 188.7
[M+CH3COO]- 363.14810 210.2
[M+Na-2H]- 325.10892 172.4
[M]+ 304.13370 175.1
[M]- 304.13480 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.