CID 3002282

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

Structural Information

Molecular Formula
C17H16BrN5OS2
SMILES
C=CCNC(=S)NNC(=O)CC1=CSC2=NC(=CN12)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H16BrN5OS2/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/h2-6,9-10H,1,7-8H2,(H,21,24)(H2,19,22,25)
InChIKey
BSAMFBXXRCPMLO-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.99796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.00524 178.6
[M+Na]+ 471.98718 190.9
[M-H]- 447.99068 187.1
[M+NH4]+ 467.03178 194.4
[M+K]+ 487.96112 175.8
[M+H-H2O]+ 431.99522 177.6
[M+HCOO]- 493.99616 192.1
[M+CH3COO]- 508.01181 190.7
[M+Na-2H]- 469.97263 181.3
[M]+ 448.99741 200.5
[M]- 448.99851 200.5
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.