CID 3002278

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

Structural Information

Molecular Formula
C15H14BrN5OS2
SMILES
CNC(=S)NNC(=O)CC1=CSC2=NC(=CN12)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H14BrN5OS2/c1-17-14(23)20-19-13(22)6-11-8-24-15-18-12(7-21(11)15)9-2-4-10(16)5-3-9/h2-5,7-8H,6H2,1H3,(H,19,22)(H2,17,20,23)
InChIKey
LBXYPHJBZAGZGB-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.98233 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.98961 170.8
[M+Na]+ 445.97155 183.7
[M-H]- 421.97505 179.6
[M+NH4]+ 441.01615 187.7
[M+K]+ 461.94549 169.5
[M+H-H2O]+ 405.97959 170.1
[M+HCOO]- 467.98053 184.7
[M+CH3COO]- 481.99618 183.7
[M+Na-2H]- 443.95700 174.4
[M]+ 422.98178 192.8
[M]- 422.98288 192.8
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.