CID 458780

Lsd1-in-24

Structural Information

Molecular Formula

C₁₈H₂₀N₂OS

SMILES

C1COCCN1CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C18H20N2OS/c1-3-7-17-15(5-1)20(10-9-19-11-13-21-14-12-19)16-6-2-4-8-18(16)22-17/h1-8H,9-14H2

InChIKey

VJQXIWLVJMDRGV-UHFFFAOYSA-N

Compound name

4-(2-phenothiazin-10-ylethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 312.12964 Da
Monoisotopic Mass: 3.8
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]+	313.13692	168.6
[M+Na]+	335.11886	174.7
[M-H]-	311.12236	173.4
[M+NH4]+	330.16346	181.3
[M+K]+	351.09280	169.9
[M+H-H2O]+	295.12690	159.0
[M+HCOO]-	357.12784	177.6
[M+CH3COO]-	371.14349	177.9
[M+Na-2H]-	333.10431	173.4
[M]+	312.12909	166.8
[M]-	312.13019	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe