CID 454351

145901-81-1

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2[N+](=O)[O-])C
InChI
InChI=1S/C15H17N3O3/c1-3-11-8-13(15(19)17-10(11)2)16-9-12-6-4-5-7-14(12)18(20)21/h4-8,16H,3,9H2,1-2H3,(H,17,19)
InChIKey
TYOSQPFZNSZNQM-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(2-nitrophenyl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.12698 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 164.3
[M+Na]+ 310.11620 171.3
[M-H]- 286.11970 168.9
[M+NH4]+ 305.16080 177.0
[M+K]+ 326.09014 162.3
[M+H-H2O]+ 270.12424 160.4
[M+HCOO]- 332.12518 187.9
[M+CH3COO]- 346.14083 197.1
[M+Na-2H]- 308.10165 170.4
[M]+ 287.12643 162.6
[M]- 287.12753 162.6
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.