CID 3002280

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

Structural Information

Molecular Formula
C17H18BrN5OS2
SMILES
CCCNC(=S)NNC(=O)CC1=CSC2=NC(=CN12)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H18BrN5OS2/c1-2-7-19-16(25)22-21-15(24)8-13-10-26-17-20-14(9-23(13)17)11-3-5-12(18)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,21,24)(H2,19,22,25)
InChIKey
PDXRYNFBOGBRLB-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.0136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.02088 178.7
[M+Na]+ 474.00282 190.6
[M-H]- 450.00632 187.1
[M+NH4]+ 469.04742 194.5
[M+K]+ 489.97676 176.1
[M+H-H2O]+ 434.01086 177.6
[M+HCOO]- 496.01180 192.0
[M+CH3COO]- 510.02745 190.7
[M+Na-2H]- 471.98827 181.5
[M]+ 451.01305 201.2
[M]- 451.01415 201.2
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.