CID 2359994

105925-39-1

Structural Information

Molecular Formula

C₂₀H₁₄ClNO₂S

SMILES

COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3

InChIKey

CSWHYHPUEDNIQY-UHFFFAOYSA-N

Compound name

(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 367.04337 Da
Monoisotopic Mass: 5.2
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]+	368.05065	180.6
[M+Na]+	390.03259	190.6
[M-H]-	366.03609	187.7
[M+NH4]+	385.07719	195.1
[M+K]+	406.00653	183.6
[M+H-H2O]+	350.04063	172.6
[M+HCOO]-	412.04157	189.8
[M+CH3COO]-	426.05722	191.2
[M+Na-2H]-	388.01804	184.3
[M]+	367.04282	185.9
[M]-	367.04392	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe