CID 353724

Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)-

Structural Information

Molecular Formula
C17H9Br2N3O2S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN4C(=C(N=C4S3)C5=CC=C(C=C5)Br)Br
InChI
InChI=1S/C17H9Br2N3O2S/c18-11-4-1-9(2-5-11)14-15(19)22-17(20-14)25-16(21-22)10-3-6-12-13(7-10)24-8-23-12/h1-7H,8H2
InChIKey
LCVXIURJOWBSGK-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.87823 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.88551 170.2
[M+Na]+ 499.86745 185.6
[M-H]- 475.87095 184.0
[M+NH4]+ 494.91205 186.3
[M+K]+ 515.84139 175.0
[M+H-H2O]+ 459.87549 181.9
[M+HCOO]- 521.87643 182.6
[M+CH3COO]- 535.89208 184.9
[M+Na-2H]- 497.85290 172.9
[M]+ 476.87768 210.4
[M]- 476.87878 210.4
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.