CID 2816755

Maybridge4_001996

Structural Information

Molecular Formula

C₁₃H₁₂N₄O₂S

SMILES

C1COCCN1C2=NN=C3N(C2=O)C4=CC=CC=C4S3

InChI

InChI=1S/C13H12N4O2S/c18-12-11(16-5-7-19-8-6-16)14-15-13-17(12)9-3-1-2-4-10(9)20-13/h1-4H,5-8H2

InChIKey

YRIMOKFVDIJXPX-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 288.06808 Da
Monoisotopic Mass: 1.3
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]+	289.075356	160.7
[M+Na]+	311.057298	172.5
[M-H]-	287.060804	165.3
[M+NH4]+	306.101903	174.2
[M+K]+	327.031238	168.1
[M+H-H2O]+	271.065340	152.1
[M+HCOO]-	333.066281	172.8
[M+CH3COO]-	347.081931	172.3
[M+Na-2H]-	309.042746	165.5
[M]+	288.06753142	163.4
[M]-	288.06862858	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.