CID 3295

Ethoxzolamide

Structural Information

Molecular Formula
C9H10N2O3S2
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N
InChI
InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
InChIKey
OUZWUKMCLIBBOG-UHFFFAOYSA-N
Compound name
6-ethoxy-1,3-benzothiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

422
References

4331
Patents

258.01328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.020556 153.0
[M+Na]+ 281.002498 164.6
[M-H]- 257.006004 156.6
[M+NH4]+ 276.047103 172.0
[M+K]+ 296.976438 159.9
[M+H-H2O]+ 241.010540 147.8
[M+HCOO]- 303.011481 167.3
[M+CH3COO]- 317.027131 191.0
[M+Na-2H]- 278.987946 157.0
[M]+ 258.01273142 159.1
[M]- 258.01382858 159.1
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