CID 3065182

107176-89-6

Structural Information

Molecular Formula

C₂₁H₂₅N₃O₂S

SMILES

C1COCCN1CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H25N3O2S/c25-21(16-22-10-5-11-23-12-14-26-15-13-23)24-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)24/h1-4,6-9,22H,5,10-16H2

InChIKey

XFXDHXABNUBMBO-UHFFFAOYSA-N

Compound name

2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 383.16675 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]+	384.174026	186.5
[M+Na]+	406.155968	189.9
[M-H]-	382.159474	190.5
[M+NH4]+	401.200573	195.6
[M+K]+	422.129908	185.0
[M+H-H2O]+	366.164010	176.2
[M+HCOO]-	428.164951	194.6
[M+CH3COO]-	442.180601	193.6
[M+Na-2H]-	404.141416	190.1
[M]+	383.16620142	185.1
[M]-	383.16729858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.