CID 3040856

Brn 1027388

Structural Information

Molecular Formula

C₁₇H₁₇ClN₂OS₂

SMILES

CCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2OS2/c1-2-22-10-9-19-17(21)20-13-5-3-4-6-15(13)23-16-8-7-12(18)11-14(16)20/h3-8,11H,2,9-10H2,1H3,(H,19,21)

InChIKey

BIWXMBLBCUBBGR-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-ethylsulfanylethyl)phenothiazine-10-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.0471 Da
Monoisotopic Mass: 4.5
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]+	365.054376	174.1
[M+Na]+	387.036318	182.4
[M-H]-	363.039824	177.1
[M+NH4]+	382.080923	189.2
[M+K]+	403.010258	174.7
[M+H-H2O]+	347.044360	168.3
[M+HCOO]-	409.045301	178.4
[M+CH3COO]-	423.060951	183.6
[M+Na-2H]-	385.021766	177.5
[M]+	364.04655142	179.4
[M]-	364.04764858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.