CID 65750

Chlorproethazine

Structural Information

Molecular Formula

C₁₉H₂₃ClN₂S

SMILES

CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3

InChIKey

DBOUGBAQLIXZLV-UHFFFAOYSA-N

Compound name

3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 858
Patents: 346.12704 Da
Monoisotopic Mass: 5.9
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]+	347.134316	178.7
[M+Na]+	369.116258	186.3
[M-H]-	345.119764	183.0
[M+NH4]+	364.160863	194.9
[M+K]+	385.090198	179.8
[M+H-H2O]+	329.124300	171.0
[M+HCOO]-	391.125241	188.5
[M+CH3COO]-	405.140891	188.8
[M+Na-2H]-	367.101706	181.7
[M]+	346.12649142	184.7
[M]-	346.12758858	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe