CID 155925694

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

Structural Information

Molecular Formula
C23H13ClN4O4S
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)N=NC3=CC=C(C=C3)C4=NN=C(O4)SC5=CC=CC=C5Cl)O
InChI
InChI=1S/C23H13ClN4O4S/c24-16-6-2-4-8-18(16)33-23-28-27-21(32-23)13-9-11-14(12-10-13)25-26-19-20(29)15-5-1-3-7-17(15)31-22(19)30/h1-12,29H
InChIKey
VNOURPFPHDBIEU-UHFFFAOYSA-N
Compound name
3-[[4-[5-(2-chlorophenyl)sulfanyl-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

476.0346 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.04188 213.0
[M+Na]+ 499.02382 226.0
[M-H]- 475.02732 228.4
[M+NH4]+ 494.06842 219.7
[M+K]+ 514.99776 220.8
[M+H-H2O]+ 459.03186 202.6
[M+HCOO]- 521.03280 229.3
[M+CH3COO]- 535.04845 223.7
[M+Na-2H]- 497.00927 217.2
[M]+ 476.03405 224.2
[M]- 476.03515 224.2
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.