CID 169501856

Acetazolamide m2

Structural Information

Molecular Formula

C₇H₁₀N₄O₃S₂

SMILES

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

InChI

InChI=1S/C7H10N4O3S2/c1-3(12)9-6-10-11-7(16-6)15-2-4(8)5(13)14/h4H,2,8H2,1H3,(H,13,14)(H,9,10,12)

InChIKey

FLOIDYNERQSTBJ-UHFFFAOYSA-N

Compound name

3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-2-aminopropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 262.01944 Da
Monoisotopic Mass: -2.9
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]+	263.026716	153.4
[M+Na]+	285.008658	159.7
[M-H]-	261.012164	152.5
[M+NH4]+	280.053263	167.9
[M+K]+	300.982598	156.0
[M+H-H2O]+	245.016700	146.3
[M+HCOO]-	307.017641	163.3
[M+CH3COO]-	321.033291	193.6
[M+Na-2H]-	282.994106	151.3
[M]+	262.01889142	154.1
[M]-	262.01998858	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.