CID 4940

Propiomazine

Structural Information

Molecular Formula

C₂₀H₂₄N₂OS

SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C

InChI

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

InChIKey

UVOIBTBFPOZKGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 43
References: 1226
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]+	341.16823	179.7
[M+Na]+	363.15017	185.5
[M-H]-	339.15367	184.1
[M+NH4]+	358.19477	194.8
[M+K]+	379.12411	181.3
[M+H-H2O]+	323.15821	171.4
[M+HCOO]-	385.15915	192.0
[M+CH3COO]-	399.17480	220.5
[M+Na-2H]-	361.13562	180.8
[M]+	340.16040	183.5
[M]-	340.16150	183.5

Literature stripe

literature stripe

Patent stripe

patents stripe