CID 3067761

Brn 4586468

Structural Information

Molecular Formula
C17H15Br2N3O3S
SMILES
CCOC1=CC=CC=C1NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C17H15Br2N3O3S/c1-2-24-14-6-4-3-5-13(14)20-9-22-17(26)25-16(21-22)11-7-10(18)8-12(19)15(11)23/h3-8,20,23H,2,9H2,1H3
InChIKey
DWLWACFNVVSZDP-UHFFFAOYSA-N
Compound name
5-(3,5-dibromo-2-hydroxyphenyl)-3-[(2-ethoxyanilino)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.9201 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.92738 170.3
[M+Na]+ 521.90932 181.9
[M-H]- 497.91282 180.3
[M+NH4]+ 516.95392 181.7
[M+K]+ 537.88326 165.9
[M+H-H2O]+ 481.91736 177.0
[M+HCOO]- 543.91830 181.6
[M+CH3COO]- 557.93395 182.5
[M+Na-2H]- 519.89477 173.4
[M]+ 498.91955 208.6
[M]- 498.92065 208.6
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.