CID 74491

3-methoxy-10h-phenothiazine

Structural Information

Molecular Formula

C₁₃H₁₁NOS

SMILES

COC1=CC2=C(C=C1)NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11NOS/c1-15-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14-11/h2-8,14H,1H3

InChIKey

NKRGJNZQQYCJHD-UHFFFAOYSA-N

Compound name

3-methoxy-10H-phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 36
Patents: 229.05614 Da
Monoisotopic Mass: 4.1
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]+	230.063416	144.8
[M+Na]+	252.045358	154.2
[M-H]-	228.048864	147.7
[M+NH4]+	247.089963	163.8
[M+K]+	268.019298	148.8
[M+H-H2O]+	212.053400	138.5
[M+HCOO]-	274.054341	158.9
[M+CH3COO]-	288.069991	157.1
[M+Na-2H]-	250.030806	152.1
[M]+	229.05559142	145.7
[M]-	229.05668858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.