CID 3045324

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

Structural Information

Molecular Formula
C19H15Br2N3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C19H15Br2N3O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)18-23-24-17(21)15(22-19(24)28-18)10-4-6-12(20)7-5-10/h4-9H,1-3H3
InChIKey
AQQSOTDIWIUETJ-UHFFFAOYSA-N
Compound name
5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.9201 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.92738 175.8
[M+Na]+ 545.90932 190.3
[M-H]- 521.91282 187.5
[M+NH4]+ 540.95392 190.2
[M+K]+ 561.88326 176.5
[M+H-H2O]+ 505.91736 184.6
[M+HCOO]- 567.91830 188.8
[M+CH3COO]- 581.93395 189.5
[M+Na-2H]- 543.89477 178.1
[M]+ 522.91955 218.2
[M]- 522.92065 218.2
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.