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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08086 192.1
[M+Na]+ 417.06280 204.3
[M-H]- 393.06630 204.7
[M+NH4]+ 412.10740 201.7
[M+K]+ 433.03674 200.8
[M+H-H2O]+ 377.07084 182.5
[M+HCOO]- 439.07178 213.4
[M+CH3COO]- 453.08743 204.1
[M+Na-2H]- 415.04825 197.5
[M]+ 394.07303 202.0
[M]- 394.07413 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.