CID 454389

143707-85-1

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=COC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C18H18N2O3/c1-3-12-8-15(18(22)20-11(12)2)19-9-13-10-23-16-7-5-4-6-14(16)17(13)21/h4-8,10,19H,3,9H2,1-2H3,(H,20,22)
InChIKey
GPOGYELAMQPQPR-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(4-oxochromen-3-yl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.6
[M+Na]+ 333.12096 182.6
[M-H]- 309.12446 179.1
[M+NH4]+ 328.16556 185.2
[M+K]+ 349.09490 177.7
[M+H-H2O]+ 293.12900 163.6
[M+HCOO]- 355.12994 193.4
[M+CH3COO]- 369.14559 208.0
[M+Na-2H]- 331.10641 178.6
[M]+ 310.13119 175.2
[M]- 310.13229 175.2
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.