CID 207110

Brn 0849371

Structural Information

Molecular Formula

C₁₉H₁₉N₃OS₃

SMILES

CN1CCN(CC1)C(=S)SC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H19N3OS3/c1-20-10-12-21(13-11-20)19(24)26-18(23)22-14-6-2-4-8-16(14)25-17-9-5-3-7-15(17)22/h2-9H,10-13H2,1H3

InChIKey

SNSBATSRSJVRNH-UHFFFAOYSA-N

Compound name

S-(4-methylpiperazine-1-carbothioyl) phenothiazine-10-carbothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 401.06903 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	402.076306	181.5
[M+Na]+	424.058248	188.0
[M-H]-	400.061754	182.8
[M+NH4]+	419.102853	191.1
[M+K]+	440.032188	179.5
[M+H-H2O]+	384.066290	174.5
[M+HCOO]-	446.067231	177.9
[M+CH3COO]-	460.082881	187.9
[M+Na-2H]-	422.043696	182.7
[M]+	401.06848142	179.0
[M]-	401.06957858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.