CID 15956034

6-(4-bromophenyl)-2-(2-thienyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

Structural Information

Molecular Formula
C15H8BrN3OS2
SMILES
C1=CSC(=C1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)C=O
InChI
InChI=1S/C15H8BrN3OS2/c16-10-5-3-9(4-6-10)13-11(8-20)19-15(17-13)22-14(18-19)12-2-1-7-21-12/h1-8H
InChIKey
BCDOCPQRQBTQHM-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.92923 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.93651 165.0
[M+Na]+ 411.91845 185.3
[M-H]- 387.92195 178.5
[M+NH4]+ 406.96305 185.8
[M+K]+ 427.89239 173.2
[M+H-H2O]+ 371.92649 168.0
[M+HCOO]- 433.92743 181.8
[M+CH3COO]- 447.94308 181.8
[M+Na-2H]- 409.90390 166.4
[M]+ 388.92868 192.5
[M]- 388.92978 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.