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 184.3
[M+Na]+ 409.13787 189.7
[M-H]- 385.14137 187.7
[M+NH4]+ 404.18247 195.7
[M+K]+ 425.11181 183.1
[M+H-H2O]+ 369.14591 176.0
[M+HCOO]- 431.14685 185.7
[M+CH3COO]- 445.16250 191.6
[M+Na-2H]- 407.12332 183.5
[M]+ 386.14810 183.3
[M]- 386.14920 183.3
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.