CID 200112

64-89-1

Structural Information

Molecular Formula

C₂₀H₂₄N₂OS

SMILES

CCC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3S2)C(C)CN(C)C

InChI

InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-17-20(12-15)24-19-9-7-6-8-16(19)22(17)14(2)13-21(3)4/h6-12,14H,5,13H2,1-4H3

InChIKey

ZOBQPLCCWDGTCX-UHFFFAOYSA-N

Compound name

1-[10-[1-(dimethylamino)propan-2-yl]phenothiazin-3-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.16095 Da
Monoisotopic Mass: 4.8
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]+	341.168226	179.7
[M+Na]+	363.150168	185.5
[M-H]-	339.153674	184.1
[M+NH4]+	358.194773	194.8
[M+K]+	379.124108	181.3
[M+H-H2O]+	323.158210	171.4
[M+HCOO]-	385.159151	192.0
[M+CH3COO]-	399.174801	220.5
[M+Na-2H]-	361.135616	180.8
[M]+	340.16040142	183.5
[M]-	340.16149858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe