CID 3067760

Brn 4580165

Structural Information

Molecular Formula
C16H13Br2N3O3S
SMILES
COC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C16H13Br2N3O3S/c1-23-11-4-2-10(3-5-11)19-8-21-16(25)24-15(20-21)12-6-9(17)7-13(18)14(12)22/h2-7,19,22H,8H2,1H3
InChIKey
DYOJQHVUTFGQCZ-UHFFFAOYSA-N
Compound name
5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.90445 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.91173 166.5
[M+Na]+ 507.89367 178.4
[M-H]- 483.89717 176.6
[M+NH4]+ 502.93827 178.4
[M+K]+ 523.86761 162.7
[M+H-H2O]+ 467.90171 173.4
[M+HCOO]- 529.90265 178.1
[M+CH3COO]- 543.91830 179.1
[M+Na-2H]- 505.87912 170.1
[M]+ 484.90390 204.6
[M]- 484.90500 204.6
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.