CID 26035

Aceprometazine

Structural Information

Molecular Formula

C₁₉H₂₂N₂OS

SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C

InChI

InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3

InChIKey

XLOQNFNTQIRSOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 361
Patents: 326.1453 Da
Monoisotopic Mass: 4.3
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]+	327.15258	175.2
[M+Na]+	349.13452	181.5
[M-H]-	325.13802	179.8
[M+NH4]+	344.17912	190.9
[M+K]+	365.10846	177.5
[M+H-H2O]+	309.14256	167.1
[M+HCOO]-	371.14350	187.8
[M+CH3COO]-	385.15915	217.6
[M+Na-2H]-	347.11997	176.8
[M]+	326.14475	178.7
[M]-	326.14585	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe