CID 9969169

N-acetyldorzolamide

Structural Information

Molecular Formula
C12H18N2O5S3
SMILES
CCN([C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C)C(=O)C
InChI
InChI=1S/C12H18N2O5S3/c1-4-14(8(3)15)10-5-7(2)21(16,17)12-9(10)6-11(20-12)22(13,18)19/h6-7,10H,4-5H2,1-3H3,(H2,13,18,19)/t7-,10-/m0/s1
InChIKey
LJWKHZXOGKJTFU-XVKPBYJWSA-N
Compound name
N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.03778 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04506 179.8
[M+Na]+ 389.02700 184.3
[M+NH4]+ 384.07160 186.3
[M+K]+ 405.00094 177.1
[M-H]- 365.03050 178.8
[M+Na-2H]- 387.01245 181.1
[M]+ 366.03723 181.2
[M]- 366.03833 181.2
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

patents stripe