CID 44285992

13094-24-1

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂S

SMILES

CN(C)CCCN1C2=C(C(=CC=C2)Cl)SC3=CC=CC=C31

InChI

InChI=1S/C17H19ClN2S/c1-19(2)11-6-12-20-14-8-3-4-10-16(14)21-17-13(18)7-5-9-15(17)20/h3-5,7-10H,6,11-12H2,1-2H3

InChIKey

QTSPTUFOFSQPBD-UHFFFAOYSA-N

Compound name

3-(4-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 318.09573 Da
Monoisotopic Mass: 5.2
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]+	319.10301	170.7
[M+Na]+	341.08495	186.3
[M+NH4]+	336.12955	181.7
[M+K]+	357.05889	174.2
[M-H]-	317.08845	176.1
[M+Na-2H]-	339.07040	178.0
[M]+	318.09518	175.5
[M]-	318.09628	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe