CID 2910

Cyclothiazide

Structural Information

Molecular Formula
C14H16ClN3O4S2
SMILES
C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
InChIKey
BOCUKUHCLICSIY-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

402
References

4113
Patents

389.02707 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03435 181.1
[M+Na]+ 412.01629 189.1
[M+NH4]+ 407.06089 188.8
[M+K]+ 427.99023 183.0
[M-H]- 388.01979 180.2
[M+Na-2H]- 410.00174 182.5
[M]+ 389.02652 182.9
[M]- 389.02762 182.9
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