CID 4926

Promazine

Structural Information

Molecular Formula

C₁₇H₂₀N₂S

SMILES

CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

InChIKey

ZGUGWUXLJSTTMA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1316
References: 14145
Patents: 284.1347 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]+	285.14198	163.1
[M+Na]+	307.12392	170.2
[M-H]-	283.12742	167.7
[M+NH4]+	302.16852	180.7
[M+K]+	323.09786	165.5
[M+H-H2O]+	267.13196	155.0
[M+HCOO]-	329.13290	178.3
[M+CH3COO]-	343.14855	174.2
[M+Na-2H]-	305.10937	168.4
[M]+	284.13415	166.0
[M]-	284.13525	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe