CID 4078

Mesoridazine

Structural Information

Molecular Formula
C21H26N2OS2
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C
InChI
InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
SLVMESMUVMCQIY-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

191
References

18866
Patents

386.14865 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15593 184.7
[M+Na]+ 409.13787 190.7
[M-H]- 385.14137 188.2
[M+NH4]+ 404.18247 196.3
[M+K]+ 425.11181 183.4
[M+H-H2O]+ 369.14591 176.2
[M+HCOO]- 431.14685 187.3
[M+CH3COO]- 445.16250 192.2
[M+Na-2H]- 407.12332 184.7
[M]+ 386.14810 184.2
[M]- 386.14920 184.2
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.