CID 155925061

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

Structural Information

Molecular Formula
C18H12N4O4S
SMILES
CSC1=NN=C(O1)C2=CC=C(C=C2)N=NC3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C18H12N4O4S/c1-27-18-22-21-16(26-18)10-6-8-11(9-7-10)19-20-14-15(23)12-4-2-3-5-13(12)25-17(14)24/h2-9,23H,1H3
InChIKey
WBOUPFDKZBGKSA-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-(5-methylsulfanyl-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

380.05792 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06520 187.7
[M+Na]+ 403.04714 200.4
[M-H]- 379.05064 200.5
[M+NH4]+ 398.09174 198.0
[M+K]+ 419.02108 197.1
[M+H-H2O]+ 363.05518 178.3
[M+HCOO]- 425.05612 209.4
[M+CH3COO]- 439.07177 200.2
[M+Na-2H]- 401.03259 193.6
[M]+ 380.05737 197.4
[M]- 380.05847 197.4
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.