CID 5284549

Dorzolamide

Structural Information

Molecular Formula
C10H16N2O4S3
SMILES
CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C
InChI
InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
InChIKey
IAVUPMFITXYVAF-XPUUQOCRSA-N
Compound name
(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1146
References

16355
Patents

324.02722 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03450 168.9
[M+Na]+ 347.01644 174.5
[M+NH4]+ 342.06104 176.4
[M+K]+ 362.99038 166.0
[M-H]- 323.01994 168.7
[M+Na-2H]- 345.00189 170.8
[M]+ 324.02667 170.7
[M]- 324.02777 170.7
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