CID 20608147

Acetazolamide m5

Structural Information

Molecular Formula
C6H8N4O4S2
SMILES
CC(=O)NC1=NN=C(S1)S(=O)(=O)NC(=O)C
InChI
InChI=1S/C6H8N4O4S2/c1-3(11)7-5-8-9-6(15-5)16(13,14)10-4(2)12/h1-2H3,(H,10,12)(H,7,8,11)
InChIKey
BNUGZGQLPVRYHW-UHFFFAOYSA-N
Compound name
N-[5-(acetylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

263.9987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.005976 154.9
[M+Na]+ 286.987918 163.0
[M-H]- 262.991424 156.3
[M+NH4]+ 282.032523 170.3
[M+K]+ 302.961858 159.9
[M+H-H2O]+ 246.995960 148.3
[M+HCOO]- 308.996901 167.3
[M+CH3COO]- 323.012551 192.9
[M+Na-2H]- 284.973366 156.5
[M]+ 263.99815142 157.9
[M]- 263.99924858 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe