CID 17676

Acetophenazine

Structural Information

Molecular Formula

C₂₃H₂₉N₃O₂S

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO

InChI

InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3

InChIKey

WNTYBHLDCKXEOT-UHFFFAOYSA-N

Compound name

1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 40
References: 8211
Patents: 411.19806 Da
Monoisotopic Mass: 2.6
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]+	412.205336	198.3
[M+Na]+	434.187278	202.5
[M-H]-	410.190784	199.1
[M+NH4]+	429.231883	206.1
[M+K]+	450.161218	195.2
[M+H-H2O]+	394.195320	187.7
[M+HCOO]-	456.196261	202.4
[M+CH3COO]-	470.211911	203.9
[M+Na-2H]-	432.172726	197.7
[M]+	411.19751142	197.2
[M]-	411.19860858	197.2

Literature stripe

literature stripe

Patent stripe

patents stripe