CID 3045437

60706-43-6

Structural Information

Molecular Formula

C₁₉H₂₃N₃S

SMILES

CN1CCN(CC1)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H23N3S/c1-20-10-12-21(13-11-20)14-15-22-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)22/h2-9H,10-15H2,1H3

InChIKey

KXSRCCZGVUUIAA-UHFFFAOYSA-N

Compound name

10-[2-(4-methylpiperazin-1-yl)ethyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 325.16125 Da
Monoisotopic Mass: 4.0
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]+	326.168526	175.6
[M+Na]+	348.150468	182.0
[M-H]-	324.153974	178.3
[M+NH4]+	343.195073	187.9
[M+K]+	364.124408	174.9
[M+H-H2O]+	308.158510	165.2
[M+HCOO]-	370.159451	183.3
[M+CH3COO]-	384.175101	183.9
[M+Na-2H]-	346.135916	178.5
[M]+	325.16070142	173.0
[M]-	325.16179858	173.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.