CID 53734773

Acetazolamide m1

Structural Information

Molecular Formula

C₄H₆N₄O₄S₂

SMILES

C(C(=O)NC1=NN=C(S1)S(=O)(=O)N)O

InChI

InChI=1S/C4H6N4O4S2/c5-14(11,12)4-8-7-3(13-4)6-2(10)1-9/h9H,1H2,(H2,5,11,12)(H,6,7,10)

InChIKey

CQKKIQUYBNMPTJ-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 237.98305 Da
Monoisotopic Mass: -0.9
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]+	238.990326	146.2
[M+Na]+	260.972268	154.6
[M-H]-	236.975774	145.7
[M+NH4]+	256.016873	161.7
[M+K]+	276.946208	150.7
[M+H-H2O]+	220.980310	139.8
[M+HCOO]-	282.981251	158.0
[M+CH3COO]-	296.996901	184.9
[M+Na-2H]-	258.957716	148.2
[M]+	237.98250142	147.0
[M]-	237.98359858	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.