CID 14475217

Hydroxy torsemide

Structural Information

Molecular Formula
C16H20N4O4S
SMILES
CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO
InChI
InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)
InChIKey
WCYVLAMJCQZUCR-UHFFFAOYSA-N
Compound name
1-[4-[3-(hydroxymethyl)anilino]pyridin-3-yl]sulfonyl-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

364.1205 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12778 181.6
[M+Na]+ 387.10972 189.5
[M+NH4]+ 382.15432 185.6
[M+K]+ 403.08366 184.5
[M-H]- 363.11322 183.3
[M+Na-2H]- 385.09517 187.1
[M]+ 364.11995 183.1
[M]- 364.12105 183.1
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