CID 393165

Nsc694619

Structural Information

Molecular Formula

C₁₉H₁₄N₂O₂S

SMILES

CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C19H14N2O2S/c1-13-11-17-18(20-12-13)24-21(19(17)22)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-12H,1H3

InChIKey

RGPSDCPHLKBKFX-UHFFFAOYSA-N

Compound name

5-methyl-2-(4-phenoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 334.0776 Da
Monoisotopic Mass: 4.2
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]+	335.084876	176.7
[M+Na]+	357.066818	189.3
[M-H]-	333.070324	186.4
[M+NH4]+	352.111423	191.4
[M+K]+	373.040758	182.5
[M+H-H2O]+	317.074860	167.8
[M+HCOO]-	379.075801	195.9
[M+CH3COO]-	393.091451	189.2
[M+Na-2H]-	355.052266	179.9
[M]+	334.07705142	182.9
[M]-	334.07814858	182.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.