CID 3002279

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

Structural Information

Molecular Formula
C16H16BrN5OS2
SMILES
CCNC(=S)NNC(=O)CC1=CSC2=NC(=CN12)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H16BrN5OS2/c1-2-18-15(24)21-20-14(23)7-12-9-25-16-19-13(8-22(12)16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,20,23)(H2,18,21,24)
InChIKey
HPCXTWRZIYSLJK-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.99796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.00524 174.7
[M+Na]+ 459.98718 187.2
[M-H]- 435.99068 183.4
[M+NH4]+ 455.03178 191.1
[M+K]+ 475.96112 172.8
[M+H-H2O]+ 419.99522 173.8
[M+HCOO]- 481.99616 188.3
[M+CH3COO]- 496.01181 187.2
[M+Na-2H]- 457.97263 177.9
[M]+ 436.99741 197.0
[M]- 436.99851 197.0
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.