CID 3045327

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

Structural Information

Molecular Formula
C19H16BrN3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H16BrN3O3S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-22-23-10-14(21-19(23)27-18)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKey
IPWYCNSFJORNEG-UHFFFAOYSA-N
Compound name
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

445.00958 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.01686 192.2
[M+Na]+ 467.99880 198.3
[M+NH4]+ 463.04340 196.2
[M+K]+ 483.97274 198.2
[M-H]- 444.00230 195.1
[M+Na-2H]- 465.98425 196.3
[M]+ 445.00903 193.3
[M]- 445.01013 193.3
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.