CID 454347

Chembl85975

Structural Information

Molecular Formula
C14H17N3O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CN=CC=C2)C
InChI
InChI=1S/C14H17N3O/c1-3-12-7-13(14(18)17-10(12)2)16-9-11-5-4-6-15-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKey
PNCQHPWMBIIGAP-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(pyridin-3-ylmethylamino)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

243.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 156.3
[M+Na]+ 266.12638 164.8
[M-H]- 242.12988 159.4
[M+NH4]+ 261.17098 170.4
[M+K]+ 282.10032 159.3
[M+H-H2O]+ 226.13442 147.5
[M+HCOO]- 288.13536 177.9
[M+CH3COO]- 302.15101 194.5
[M+Na-2H]- 264.11183 162.2
[M]+ 243.13661 155.7
[M]- 243.13771 155.7
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.