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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02672 153.4
[M+Na]+ 285.00866 159.7
[M-H]- 261.01216 152.5
[M+NH4]+ 280.05326 167.9
[M+K]+ 300.98260 156.0
[M+H-H2O]+ 245.01670 146.3
[M+HCOO]- 307.01764 163.3
[M+CH3COO]- 321.03329 193.6
[M+Na-2H]- 282.99411 151.3
[M]+ 262.01889 154.1
[M]- 262.01999 154.1
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.