CID 6611263

Dechloro perphenazine

Structural Information

Molecular Formula

C₂₁H₂₇N₃OS

SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=CC=CC=C42)CCO

InChI

InChI=1S/C21H27N3OS/c25-17-16-23-14-12-22(13-15-23)10-5-11-24-18-6-1-3-8-20(18)26-21-9-4-2-7-19(21)24/h1-4,6-9,25H,5,10-17H2

InChIKey

RAUZVPIJXZDXLS-UHFFFAOYSA-N

Compound name

2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 369.18747 Da
Monoisotopic Mass: 3.6
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]+	370.19475	186.4
[M+Na]+	392.17669	191.1
[M-H]-	368.18019	187.2
[M+NH4]+	387.22129	196.1
[M+K]+	408.15063	183.5
[M+H-H2O]+	352.18473	175.9
[M+HCOO]-	414.18567	192.1
[M+CH3COO]-	428.20132	193.0
[M+Na-2H]-	390.16214	188.3
[M]+	369.18692	184.1
[M]-	369.18802	184.1

Literature stripe

literature stripe

Patent stripe

patents stripe