CID 208265

31863-89-5

Structural Information

Molecular Formula
C21H26N2OS2
SMILES
CC(C1CCCCN1C)N2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C
InChI
InChI=1S/C21H26N2OS2/c1-15(17-8-6-7-13-22(17)2)23-18-9-4-5-10-20(18)25-21-12-11-16(26(3)24)14-19(21)23/h4-5,9-12,14-15,17H,6-8,13H2,1-3H3
InChIKey
NYORAHLATXIAGT-UHFFFAOYSA-N
Compound name
10-[1-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.14865 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15593 182.9
[M+Na]+ 409.13787 196.2
[M+NH4]+ 404.18247 192.4
[M+K]+ 425.11181 184.5
[M-H]- 385.14137 187.9
[M+Na-2H]- 407.12332 188.6
[M]+ 386.14810 187.3
[M]- 386.14920 187.3
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

No patent data available for this compound.