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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.134256	164.3
[M+Na]+	310.116198	171.3
[M-H]-	286.119704	168.9
[M+NH4]+	305.160803	177.0
[M+K]+	326.090138	162.3
[M+H-H2O]+	270.124240	160.4
[M+HCOO]-	332.125181	187.9
[M+CH3COO]-	346.140831	197.1
[M+Na-2H]-	308.101646	170.4
[M]+	287.12643142	162.6
[M]-	287.12752858	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.