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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99033 146.2
[M+Na]+ 260.97227 154.6
[M-H]- 236.97577 145.7
[M+NH4]+ 256.01687 161.7
[M+K]+ 276.94621 150.7
[M+H-H2O]+ 220.98031 139.8
[M+HCOO]- 282.98125 158.0
[M+CH3COO]- 296.99690 184.9
[M+Na-2H]- 258.95772 148.2
[M]+ 237.98250 147.0
[M]- 237.98360 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.