CID 12274855

4-hydroxy ketotifen

Structural Information

Molecular Formula
C19H21NO2S
SMILES
CN1CCC(CC1)C2(C3=C(C(=O)CC4=CC=CC=C42)SC=C3)O
InChI
InChI=1S/C19H21NO2S/c1-20-9-6-14(7-10-20)19(22)15-5-3-2-4-13(15)12-17(21)18-16(19)8-11-23-18/h2-5,8,11,14,22H,6-7,9-10,12H2,1H3
InChIKey
LZPRFURMCOCGDP-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(1-methylpiperidin-4-yl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1293 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 175.2
[M+Na]+ 350.11852 185.4
[M+NH4]+ 345.16312 185.0
[M+K]+ 366.09246 177.4
[M-H]- 326.12202 178.8
[M+Na-2H]- 348.10397 180.7
[M]+ 327.12875 178.3
[M]- 327.12985 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe