CID 3002286

1-(4-bromophenyl)-3-[[2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetyl]amino]thiourea

Structural Information

Molecular Formula
C20H15Br2N5OS2
SMILES
C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)NNC(=S)NC4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C20H15Br2N5OS2/c21-13-3-1-12(2-4-13)17-10-27-16(11-30-20(27)24-17)9-18(28)25-26-19(29)23-15-7-5-14(22)6-8-15/h1-8,10-11H,9H2,(H,25,28)(H2,23,26,29)
InChIKey
FDHMZUJTNUCTPF-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.9085 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.91578 172.8
[M+Na]+ 585.89772 184.0
[M-H]- 561.90122 183.8
[M+NH4]+ 580.94232 185.8
[M+K]+ 601.87166 166.8
[M+H-H2O]+ 545.90576 180.2
[M+HCOO]- 607.90670 183.1
[M+CH3COO]- 621.92235 184.5
[M+Na-2H]- 583.88317 177.4
[M]+ 562.90795 208.8
[M]- 562.90905 208.8
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.