CID 155924582

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

Structural Information

Molecular Formula
C23H14N4O4S
SMILES
C1=CC=C(C=C1)SC2=NN=C(O2)C3=CC=C(C=C3)N=NC4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C23H14N4O4S/c28-20-17-8-4-5-9-18(17)30-22(29)19(20)25-24-15-12-10-14(11-13-15)21-26-27-23(31-21)32-16-6-2-1-3-7-16/h1-13,28H
InChIKey
QVWBFNHOHHRJSM-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-(5-phenylsulfanyl-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

442.07358 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.08086 204.0
[M+Na]+ 465.06280 215.7
[M-H]- 441.06630 219.3
[M+NH4]+ 460.10740 210.9
[M+K]+ 481.03674 211.3
[M+H-H2O]+ 425.07084 193.2
[M+HCOO]- 487.07178 225.1
[M+CH3COO]- 501.08743 215.0
[M+Na-2H]- 463.04825 209.6
[M]+ 442.07303 212.4
[M]- 442.07413 212.4
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.