CID 200584

Phenothiazine-10-carbothioic acid, o-(2-(diethylamino)ethyl) ester, hydrochloride

Structural Information

Molecular Formula
C19H22N2OS2
SMILES
CCN(CC)CCOC(=S)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2OS2/c1-3-20(4-2)13-14-22-19(23)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
InChIKey
JLXLXRZADRXMKE-UHFFFAOYSA-N
Compound name
O-[2-(diethylamino)ethyl] phenothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.11737 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12465 178.3
[M+Na]+ 381.10659 184.3
[M-H]- 357.11009 181.8
[M+NH4]+ 376.15119 192.9
[M+K]+ 397.08053 178.6
[M+H-H2O]+ 341.11463 170.5
[M+HCOO]- 403.11557 186.6
[M+CH3COO]- 417.13122 187.3
[M+Na-2H]- 379.09204 180.9
[M]+ 358.11682 182.8
[M]- 358.11792 182.8
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.