CID 56843235

88799-47-7

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

C1C(=O)C(C2=COC=CN2N1)CCC3=CC=CC=C3

InChI

InChI=1S/C15H16N2O2/c18-15-10-16-17-8-9-19-11-14(17)13(15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10H2

InChIKey

IPUPPTQKMAHAFJ-UHFFFAOYSA-N

Compound name

4-(2-phenylethyl)-2,4-dihydro-1H-pyridazino[6,1-c][1,4]oxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.1212 Da
Monoisotopic Mass: 2.0
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]+	257.128476	158.8
[M+Na]+	279.110418	165.1
[M-H]-	255.113924	162.0
[M+NH4]+	274.155023	171.5
[M+K]+	295.084358	160.9
[M+H-H2O]+	239.118460	149.3
[M+HCOO]-	301.119401	173.7
[M+CH3COO]-	315.135051	168.9
[M+Na-2H]-	277.095866	165.1
[M]+	256.12065142	155.3
[M]-	256.12174858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.