CID 24229646

910037-13-7

Structural Information

Molecular Formula

C₈H₉ClN₂O₃S

SMILES

CN1CCOC2=C1N=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C8H9ClN2O3S/c1-11-2-3-14-7-4-6(15(9,12)13)5-10-8(7)11/h4-5H,2-3H2,1H3

InChIKey

OCVVGDZOPPMLIB-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 248.00224 Da
Monoisotopic Mass: 1.1
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]+	249.009516	146.9
[M+Na]+	270.991458	157.5
[M-H]-	246.994964	149.8
[M+NH4]+	266.036063	162.9
[M+K]+	286.965398	154.7
[M+H-H2O]+	230.999500	141.2
[M+HCOO]-	293.000441	155.1
[M+CH3COO]-	307.016091	186.8
[M+Na-2H]-	268.976906	153.6
[M]+	248.00169142	151.2
[M]-	248.00278858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe