CID 1077601

433955-78-3

Structural Information

Molecular Formula

C₁₉H₁₄N₂O₄S

SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C3=CSC(=N3)NC4=CC(=CC=C4)O

InChI

InChI=1S/C19H14N2O4S/c1-24-16-7-2-4-11-8-14(18(23)25-17(11)16)15-10-26-19(21-15)20-12-5-3-6-13(22)9-12/h2-10,22H,1H3,(H,20,21)

InChIKey

AVDMMGYBRLCTFN-UHFFFAOYSA-N

Compound name

3-[2-(3-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 366.0674 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]+	367.07468	182.0
[M+Na]+	389.05662	193.6
[M-H]-	365.06012	192.7
[M+NH4]+	384.10122	194.5
[M+K]+	405.03056	188.7
[M+H-H2O]+	349.06466	173.9
[M+HCOO]-	411.06560	201.5
[M+CH3COO]-	425.08125	194.0
[M+Na-2H]-	387.04207	186.1
[M]+	366.06685	189.1
[M]-	366.06795	189.1

Literature stripe

literature stripe

Patent stripe

patents stripe