CID 1986

Acetazolamide

Structural Information

Molecular Formula

C₄H₆N₄O₃S₂

SMILES

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

InChI

InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)

InChIKey

BZKPWHYZMXOIDC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 8822
References: 42693
Patents: 221.98813 Da
Monoisotopic Mass: -0.3
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]+	222.995406	143.7
[M+Na]+	244.977348	153.0
[M-H]-	220.980854	144.8
[M+NH4]+	240.021953	160.8
[M+K]+	260.951288	149.5
[M+H-H2O]+	204.985390	137.3
[M+HCOO]-	266.986331	156.7
[M+CH3COO]-	281.001981	184.9
[M+Na-2H]-	242.962796	145.7
[M]+	221.98758142	145.0
[M]-	221.98867858	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe