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]+ 387.155926 184.3
[M+Na]+ 409.137868 189.7
[M-H]- 385.141374 187.7
[M+NH4]+ 404.182473 195.7
[M+K]+ 425.111808 183.1
[M+H-H2O]+ 369.145910 176.0
[M+HCOO]- 431.146851 185.7
[M+CH3COO]- 445.162501 191.6
[M+Na-2H]- 407.123316 183.5
[M]+ 386.14810142 183.3
[M]- 386.14919858 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.