CID 119031861

5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine-3-sulfonamide

Structural Information

Molecular Formula

C₆H₉N₃O₃S

SMILES

C1CN2C(=C(C=N2)S(=O)(=O)N)OC1

InChI

InChI=1S/C6H9N3O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H2,7,10,11)

InChIKey

MBGGXNNSIXSZBK-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 203.03647 Da
Monoisotopic Mass: -0.8
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]+	204.043746	138.7
[M+Na]+	226.025688	148.0
[M-H]-	202.029194	141.1
[M+NH4]+	221.070293	156.7
[M+K]+	241.999628	146.9
[M+H-H2O]+	186.033730	133.0
[M+HCOO]-	248.034671	153.4
[M+CH3COO]-	262.050321	180.0
[M+Na-2H]-	224.011136	144.5
[M]+	203.03592142	139.3
[M]-	203.03701858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe