CID 454354

145901-84-4

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2Cl)C
InChI
InChI=1S/C15H17ClN2O/c1-3-11-8-14(15(19)18-10(11)2)17-9-12-6-4-5-7-13(12)16/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKey
HQNYPBXSQNZCFG-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.10294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 162.5
[M+Na]+ 299.09216 172.1
[M-H]- 275.09566 166.9
[M+NH4]+ 294.13676 177.8
[M+K]+ 315.06610 165.1
[M+H-H2O]+ 259.10020 155.3
[M+HCOO]- 321.10114 180.5
[M+CH3COO]- 335.11679 199.7
[M+Na-2H]- 297.07761 166.5
[M]+ 276.10239 164.3
[M]- 276.10349 164.3
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.