CID 454800

Chembl177074

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=CC3=C(O2)C=CN=C3)C
InChI
InChI=1S/C17H18N2O2/c1-3-12-8-13(17(20)19-11(12)2)4-5-15-9-14-10-18-7-6-16(14)21-15/h6-10H,3-5H2,1-2H3,(H,19,20)
InChIKey
RWAURRBPVDZMNK-UHFFFAOYSA-N
Compound name
5-ethyl-3-(2-furo[3,2-c]pyridin-2-ylethyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 165.7
[M+Na]+ 305.12606 177.0
[M-H]- 281.12956 171.1
[M+NH4]+ 300.17066 180.4
[M+K]+ 321.10000 171.8
[M+H-H2O]+ 265.13410 157.4
[M+HCOO]- 327.13504 186.5
[M+CH3COO]- 341.15069 178.1
[M+Na-2H]- 303.11151 170.4
[M]+ 282.13629 170.3
[M]- 282.13739 170.3
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.