CID 15956036

Schembl1691649

Structural Information

Molecular Formula
C15H10BrN3O2S
SMILES
C1=COC(=C1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)CO
InChI
InChI=1S/C15H10BrN3O2S/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/h1-7,20H,8H2
InChIKey
VAGJNWQDGBSBRJ-UHFFFAOYSA-N
Compound name
[6-(4-bromophenyl)-2-(furan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

374.9677 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.97498 168.6
[M+Na]+ 397.95692 186.4
[M-H]- 373.96042 181.1
[M+NH4]+ 393.00152 187.1
[M+K]+ 413.93086 176.1
[M+H-H2O]+ 357.96496 170.4
[M+HCOO]- 419.96590 187.4
[M+CH3COO]- 433.98155 184.6
[M+Na-2H]- 395.94237 170.7
[M]+ 374.96715 195.4
[M]- 374.96825 195.4
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

patents stripe