CID 3002285

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

Structural Information

Molecular Formula
C20H15BrClN5OS2
SMILES
C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)NNC(=S)NC4=CC=C(C=C4)Cl)Br
InChI
InChI=1S/C20H15BrClN5OS2/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
QNSDWNVRXGPQMY-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-(4-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.959 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.96628 192.3
[M+Na]+ 541.94822 205.7
[M-H]- 517.95172 204.2
[M+NH4]+ 536.99282 206.4
[M+K]+ 557.92216 190.1
[M+H-H2O]+ 501.95626 192.3
[M+HCOO]- 563.95720 202.0
[M+CH3COO]- 577.97285 204.1
[M+Na-2H]- 539.93367 195.3
[M]+ 518.95845 216.2
[M]- 518.95955 216.2
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.