CID 74981

Didemethylchlorpromazine

Structural Information

Molecular Formula

C₁₅H₁₅ClN₂S

SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN

InChI

InChI=1S/C15H15ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9,17H2

InChIKey

ZTQZBABFEUDZFE-UHFFFAOYSA-N

Compound name

3-(2-chlorophenothiazin-10-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 18
Patents: 290.06445 Da
Monoisotopic Mass: 4.2
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]+	291.07173	160.5
[M+Na]+	313.05367	170.0
[M-H]-	289.05717	163.7
[M+NH4]+	308.09827	178.2
[M+K]+	329.02761	162.7
[M+H-H2O]+	273.06171	154.2
[M+HCOO]-	335.06265	170.8
[M+CH3COO]-	349.07830	171.7
[M+Na-2H]-	311.03912	165.4
[M]+	290.06390	163.1
[M]-	290.06500	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe