CID 454439

Bdbm1352

Structural Information

Molecular Formula
C20H22N2O
SMILES
CCC1=C(N(C(=O)C(=C1)NCC2=CC3=CC=CC=C3C=C2)C)C
InChI
InChI=1S/C20H22N2O/c1-4-16-12-19(20(23)22(3)14(16)2)21-13-15-9-10-17-7-5-6-8-18(17)11-15/h5-12,21H,4,13H2,1-3H3
InChIKey
NNQNCAAPOLAXLS-UHFFFAOYSA-N
Compound name
5-ethyl-1,6-dimethyl-3-(naphthalen-2-ylmethylamino)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.3
[M+Na]+ 329.16244 183.7
[M-H]- 305.16594 181.1
[M+NH4]+ 324.20704 189.2
[M+K]+ 345.13638 177.4
[M+H-H2O]+ 289.17048 165.1
[M+HCOO]- 351.17142 196.3
[M+CH3COO]- 365.18707 212.3
[M+Na-2H]- 327.14789 179.0
[M]+ 306.17267 176.6
[M]- 306.17377 176.6
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.