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

18984
Patents

386.14865 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.155926 184.7
[M+Na]+ 409.137868 190.7
[M-H]- 385.141374 188.2
[M+NH4]+ 404.182473 196.3
[M+K]+ 425.111808 183.4
[M+H-H2O]+ 369.145910 176.2
[M+HCOO]- 431.146851 187.3
[M+CH3COO]- 445.162501 192.2
[M+Na-2H]- 407.123316 184.7
[M]+ 386.14810142 184.2
[M]- 386.14919858 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

literature stripe

Patent stripe

patents stripe