CID 15956033

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

Structural Information

Molecular Formula
C15H8BrN3O2S
SMILES
C1=COC(=C1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)C=O
InChI
InChI=1S/C15H8BrN3O2S/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
XDSRAKUCZMNXDS-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2-(furan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.95206 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.95934 168.3
[M+Na]+ 395.94128 187.0
[M-H]- 371.94478 182.1
[M+NH4]+ 390.98588 187.5
[M+K]+ 411.91522 176.9
[M+H-H2O]+ 355.94932 170.1
[M+HCOO]- 417.95026 188.7
[M+CH3COO]- 431.96591 185.0
[M+Na-2H]- 393.92673 170.7
[M]+ 372.95151 196.2
[M]- 372.95261 196.2
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.