CID 3002283

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

Structural Information

Molecular Formula
C20H16BrN5OS2
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H16BrN5OS2/c21-14-8-6-13(7-9-14)17-11-26-16(12-29-20(26)23-17)10-18(27)24-25-19(28)22-15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H,24,27)(H2,22,25,28)
InChIKey
ZCGOKZWFLFBMFQ-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.99796 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.00524 185.3
[M+Na]+ 507.98718 197.3
[M-H]- 483.99068 196.8
[M+NH4]+ 503.03178 199.6
[M+K]+ 523.96112 182.8
[M+H-H2O]+ 467.99522 184.6
[M+HCOO]- 529.99616 199.4
[M+CH3COO]- 544.01181 197.2
[M+Na-2H]- 505.97263 189.3
[M]+ 484.99741 206.9
[M]- 484.99851 206.9
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.