CID 67496

Azaphenothiazine

Structural Information

Molecular Formula

C₁₁H₈N₂S

SMILES

C1=CC=C2C(=C1)NC3=C(S2)C=CC=N3

InChI

InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)

InChIKey

UKDZROJJLPDLDO-UHFFFAOYSA-N

Compound name

10H-pyrido[3,2-b][1,4]benzothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 375
Patents: 200.04082 Da
Monoisotopic Mass: 2.9
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]+	201.048096	136.5
[M+Na]+	223.030038	146.2
[M-H]-	199.033544	137.9
[M+NH4]+	218.074643	155.2
[M+K]+	239.003978	140.5
[M+H-H2O]+	183.038080	129.8
[M+HCOO]-	245.039021	149.9
[M+CH3COO]-	259.054671	148.8
[M+Na-2H]-	221.015486	145.4
[M]+	200.04027142	135.4
[M]-	200.04136858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe