CID 159893

Perazine sulfoxide

Structural Information

Molecular Formula

C₂₀H₂₅N₃OS

SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=CC=CC=C42

InChI

InChI=1S/C20H25N3OS/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)25(24)20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3

InChIKey

QGGFCTLXKUUQAT-UHFFFAOYSA-N

Compound name

10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 0
Patents: 355.17184 Da
Monoisotopic Mass: 2.7
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]+	356.179116	184.0
[M+Na]+	378.161058	190.7
[M-H]-	354.164564	186.8
[M+NH4]+	373.205663	195.2
[M+K]+	394.134998	183.5
[M+H-H2O]+	338.169100	173.4
[M+HCOO]-	400.170041	191.5
[M+CH3COO]-	414.185691	191.9
[M+Na-2H]-	376.146506	185.7
[M]+	355.17129142	182.8
[M]-	355.17238858	182.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.