CID 454400

143707-98-6

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC3=C(O2)C=CN=C3)C
InChI
InChI=1S/C16H17N3O2/c1-3-11-7-14(16(20)19-10(11)2)18-9-13-6-12-8-17-5-4-15(12)21-13/h4-8,18H,3,9H2,1-2H3,(H,19,20)
InChIKey
XQOGJKUWINKDLB-UHFFFAOYSA-N
Compound name
5-ethyl-3-(furo[3,2-c]pyridin-2-ylmethylamino)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.1
[M+Na]+ 306.12130 175.9
[M-H]- 282.12480 170.7
[M+NH4]+ 301.16590 179.4
[M+K]+ 322.09524 170.9
[M+H-H2O]+ 266.12934 156.6
[M+HCOO]- 328.13028 187.3
[M+CH3COO]- 342.14593 177.4
[M+Na-2H]- 304.10675 171.0
[M]+ 283.13153 168.7
[M]- 283.13263 168.7
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.