CID 15956037

Schembl1691725

Structural Information

Molecular Formula
C15H10BrN3OS2
SMILES
C1=CSC(=C1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Br)CO
InChI
InChI=1S/C15H10BrN3OS2/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
BQHPHCDNHFEZAR-UHFFFAOYSA-N
Compound name
[6-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

390.9449 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.95218 164.4
[M+Na]+ 413.93412 183.9
[M-H]- 389.93762 176.6
[M+NH4]+ 408.97872 184.6
[M+K]+ 429.90806 171.5
[M+H-H2O]+ 373.94216 167.5
[M+HCOO]- 435.94310 179.7
[M+CH3COO]- 449.95875 180.6
[M+Na-2H]- 411.91957 165.7
[M]+ 390.94435 190.9
[M]- 390.94545 190.9
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