CID 169501845

Acetazolamide m4

Structural Information

Molecular Formula
C10H14N4O9S2
SMILES
CC(=O)NC1=NN=C(S1)S(=O)(=O)NC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C10H14N4O9S2/c1-2(15)11-9-12-13-10(24-9)25(21,22)14-7-5(18)3(16)4(17)6(23-7)8(19)20/h3-7,14,16-18H,1H3,(H,19,20)(H,11,12,15)/t3-,4-,5+,6-,7?/m0/s1
InChIKey
DVMIHSXSBKMEIQ-VOJFLOGESA-N
Compound name
(2S,3S,4S,5R)-6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

398.02023 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02751 179.5
[M+Na]+ 421.00945 183.0
[M-H]- 397.01295 178.4
[M+NH4]+ 416.05405 184.8
[M+K]+ 436.98339 180.6
[M+H-H2O]+ 381.01749 173.7
[M+HCOO]- 443.01843 182.4
[M+CH3COO]- 457.03408 212.4
[M+Na-2H]- 418.99490 179.7
[M]+ 398.01968 179.6
[M]- 398.02078 179.6
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.