CID 68844

Brinzolamide

Structural Information

Molecular Formula
C12H21N3O5S3
SMILES
CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
InChI
InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKey
HCRKCZRJWPKOAR-JTQLQIEISA-N
Compound name
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

465
References

12005
Patents

383.06433 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07161 182.9
[M+Na]+ 406.05355 187.4
[M+NH4]+ 401.09815 188.8
[M+K]+ 422.02749 179.4
[M-H]- 382.05705 181.4
[M+Na-2H]- 404.03900 183.7
[M]+ 383.06378 184.1
[M]- 383.06488 184.1
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