CID 2315

Bendroflumethiazide

Structural Information

Molecular Formula
C15H14F3N3O4S2
SMILES
C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2
InChI
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
InChIKey
HDWIHXWEUNVBIY-UHFFFAOYSA-N
Compound name
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

815
References

20090
Patents

421.03778 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.04506 184.0
[M+Na]+ 444.02700 190.3
[M+NH4]+ 439.07160 187.5
[M+K]+ 460.00094 182.9
[M-H]- 420.03050 179.7
[M+Na-2H]- 442.01245 187.4
[M]+ 421.03723 184.1
[M]- 421.03833 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