CID 155925427

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

Structural Information

Molecular Formula
C20H16N4O4S
SMILES
CCCSC1=NN=C(O1)C2=CC=C(C=C2)N=NC3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C20H16N4O4S/c1-2-11-29-20-24-23-18(28-20)12-7-9-13(10-8-12)21-22-16-17(25)14-5-3-4-6-15(14)27-19(16)26/h3-10,25H,2,11H2,1H3
InChIKey
VMUCRIRULHWPEO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]diazenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08923 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09651 196.4
[M+Na]+ 431.07845 208.1
[M-H]- 407.08195 208.8
[M+NH4]+ 426.12305 205.5
[M+K]+ 447.05239 204.5
[M+H-H2O]+ 391.08649 186.6
[M+HCOO]- 453.08743 217.4
[M+CH3COO]- 467.10308 208.0
[M+Na-2H]- 429.06390 201.3
[M]+ 408.08868 206.6
[M]- 408.08978 206.6
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.