CID 3067754

1,3,4-oxadiazole-2(3h)-thione, 3-(((2-chlorophenyl)amino)methyl)-5-(3,5-dibromo-2-hydroxyphenyl)-

Structural Information

Molecular Formula
C15H10Br2ClN3O2S
SMILES
C1=CC=C(C(=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O)Cl
InChI
InChI=1S/C15H10Br2ClN3O2S/c16-8-5-9(13(22)10(17)6-8)14-20-21(15(24)23-14)7-19-12-4-2-1-3-11(12)18/h1-6,19,22H,7H2
InChIKey
GZXZMKMJCKCDFD-UHFFFAOYSA-N
Compound name
3-[(2-chloroanilino)methyl]-5-(3,5-dibromo-2-hydroxyphenyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.8549 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.86218 177.5
[M+Na]+ 511.84412 174.3
[M+NH4]+ 506.88872 178.8
[M+K]+ 527.81806 179.5
[M-H]- 487.84762 180.4
[M+Na-2H]- 509.82957 179.2
[M]+ 488.85435 177.3
[M]- 488.85545 177.3
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.