CID 65714

Spiclomazine

Structural Information

Molecular Formula
C22H24ClN3OS2
SMILES
C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)
InChIKey
CFOYBMUYCBSDAL-UHFFFAOYSA-N
Compound name
8-[3-(2-chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

668
Patents

445.10492 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11220 196.1
[M+Na]+ 468.09414 209.4
[M+NH4]+ 463.13874 206.9
[M+K]+ 484.06808 196.0
[M-H]- 444.09764 201.0
[M+Na-2H]- 466.07959 202.3
[M]+ 445.10437 200.8
[M]- 445.10547 200.8
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