CID 155924814

3-[(e)-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]azo]-4-hydroxy-chromen-2-one

Structural Information

Molecular Formula

C₁₉H₁₄N₄O₄S

SMILES

CCSC1=NN=C(O1)C2=CC=C(C=C2)N=NC3=C(C4=CC=CC=C4OC3=O)O

InChI

InChI=1S/C19H14N4O4S/c1-2-28-19-23-22-17(27-19)11-7-9-12(10-8-11)20-21-15-16(24)13-5-3-4-6-14(13)26-18(15)25/h3-10,24H,2H2,1H3

InChIKey

LLRAMYRKNWOONK-UHFFFAOYSA-N

Compound name

3-[[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]diazenyl]-4-hydroxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.07358 Da
Monoisotopic Mass: 4.0
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]+	395.080856	192.1
[M+Na]+	417.062798	204.3
[M-H]-	393.066304	204.7
[M+NH4]+	412.107403	201.7
[M+K]+	433.036738	200.8
[M+H-H2O]+	377.070840	182.5
[M+HCOO]-	439.071781	213.4
[M+CH3COO]-	453.087431	204.1
[M+Na-2H]-	415.048246	197.5
[M]+	394.07303142	202.0
[M]-	394.07412858	202.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.