CID 131497274

2090148-85-7

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₄

SMILES

C1C(COC2=C(C=NN21)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C14H14N2O4/c17-14(18)12-6-15-16-7-11(9-20-13(12)16)19-8-10-4-2-1-3-5-10/h1-6,11H,7-9H2,(H,17,18)

InChIKey

OSDGQVPCPIEJJB-UHFFFAOYSA-N

Compound name

6-phenylmethoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.09537 Da
Monoisotopic Mass: 1.2
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]+	275.102646	159.3
[M+Na]+	297.084588	166.2
[M-H]-	273.088094	163.4
[M+NH4]+	292.129193	173.0
[M+K]+	313.058528	164.2
[M+H-H2O]+	257.092630	150.9
[M+HCOO]-	319.093571	176.3
[M+CH3COO]-	333.109221	193.9
[M+Na-2H]-	295.070036	163.4
[M]+	274.09482142	160.0
[M]-	274.09591858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.