CID 44629982

147611-83-4

Structural Information

Molecular Formula

C₈H₁₀N₄O₃S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N

InChI

InChI=1S/C8H10N4O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,9H2,1-2H3

InChIKey

ZRHMJRAHRITJBK-UHFFFAOYSA-N

Compound name

7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.04736 Da
Monoisotopic Mass: -0.4
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]+	243.05464	149.6
[M+Na]+	265.03658	160.3
[M+NH4]+	260.08118	156.0
[M+K]+	281.01052	157.3
[M-H]-	241.04008	151.3
[M+Na-2H]-	263.02203	153.8
[M]+	242.04681	151.8
[M]-	242.04791	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.