CID 9904236

Norketotifen

Structural Information

Molecular Formula
C18H17NOS
SMILES
C1CNCCC1=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3
InChI
InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2
InChIKey
IYSYPCSSDZBWHN-UHFFFAOYSA-N
Compound name
2-piperidin-4-ylidene-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
4
Annotation Hits

5
References

303
Patents

295.1031 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11038 169.1
[M+Na]+ 318.09232 179.7
[M+NH4]+ 313.13692 178.1
[M+K]+ 334.06626 172.5
[M-H]- 294.09582 173.0
[M+Na-2H]- 316.07777 173.7
[M]+ 295.10255 172.2
[M]- 295.10365 172.2
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