CID 454375

139548-56-4

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(N=C(C(=C2)C)C)OC)C
InChI
InChI=1S/C17H23N3O2/c1-6-13-8-15(16(21)19-12(13)4)18-9-14-7-10(2)11(3)20-17(14)22-5/h7-8,18H,6,9H2,1-5H3,(H,19,21)
InChIKey
HMYOYYAKSLLNNF-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-methoxy-5,6-dimethylpyridin-3-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

301.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 173.7
[M+Na]+ 324.16824 183.4
[M-H]- 300.17174 177.4
[M+NH4]+ 319.21284 186.2
[M+K]+ 340.14218 178.1
[M+H-H2O]+ 284.17628 164.8
[M+HCOO]- 346.17722 194.4
[M+CH3COO]- 360.19287 209.4
[M+Na-2H]- 322.15369 175.7
[M]+ 301.17847 176.8
[M]- 301.17957 176.8
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

patents stripe