CID 56843233

88799-46-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1C(=O)C(C2=COC=CN2N1)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N2O2/c17-14-9-15-16-6-7-18-10-13(16)12(14)8-11-4-2-1-3-5-11/h1-7,10,12,15H,8-9H2

InChIKey

GSALFUCFOLIZCG-UHFFFAOYSA-N

Compound name

4-benzyl-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: 242.10553 Da
Monoisotopic Mass: 1.7
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]+	243.112806	154.3
[M+Na]+	265.094748	161.0
[M-H]-	241.098254	157.7
[M+NH4]+	260.139353	167.5
[M+K]+	281.068688	157.1
[M+H-H2O]+	225.102790	145.0
[M+HCOO]-	287.103731	169.6
[M+CH3COO]-	301.119381	164.9
[M+Na-2H]-	263.080196	161.1
[M]+	242.10498142	150.4
[M]-	242.10607858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.