CID 169502107

Acetazolamide m3

Structural Information

Molecular Formula
C10H14N4O10S2
SMILES
C(C(=O)NC1=NN=C(S1)S(=O)(=O)N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C10H14N4O10S2/c11-26(21,22)10-14-13-9(25-10)12-2(15)1-23-8-5(18)3(16)4(17)6(24-8)7(19)20/h3-6,8,16-18H,1H2,(H,19,20)(H2,11,21,22)(H,12,13,15)/t3-,4-,5+,6-,8?/m0/s1
InChIKey
RPSCVUPLWPKVKJ-XWBUKDKVSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

414.01514 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02242 180.8
[M+Na]+ 437.00436 183.7
[M-H]- 413.00786 179.1
[M+NH4]+ 432.04896 184.9
[M+K]+ 452.97830 181.7
[M+H-H2O]+ 397.01240 174.7
[M+HCOO]- 459.01334 183.3
[M+CH3COO]- 473.02899 214.7
[M+Na-2H]- 434.98981 180.7
[M]+ 414.01459 181.3
[M]- 414.01569 181.3
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.