CID 81131

2-acetylphenothiazine

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2

InChI

InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3

InChIKey

JWGBOHJGWOPYCL-UHFFFAOYSA-N

Compound name

1-(10H-phenothiazin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 436
Patents: 241.05614 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]+	242.063416	148.9
[M+Na]+	264.045358	157.6
[M-H]-	240.048864	151.5
[M+NH4]+	259.089963	167.1
[M+K]+	280.019298	151.9
[M+H-H2O]+	224.053400	142.5
[M+HCOO]-	286.054341	161.6
[M+CH3COO]-	300.069991	160.5
[M+Na-2H]-	262.030806	154.5
[M]+	241.05559142	148.7
[M]-	241.05668858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe