CID 3059695

Imidazo(2,1-b)thiazole-2-carboxamide, 5,6-dihydro-n-(2,6-dibromophenyl)-3-methyl-, hydrochloride

Structural Information

Molecular Formula
C13H11Br2N3OS
SMILES
CC1=C(SC2=NCCN12)C(=O)NC3=C(C=CC=C3Br)Br
InChI
InChI=1S/C13H11Br2N3OS/c1-7-11(20-13-16-5-6-18(7)13)12(19)17-10-8(14)3-2-4-9(10)15/h2-4H,5-6H2,1H3,(H,17,19)
InChIKey
GMRVCTPVDNPWPH-UHFFFAOYSA-N
Compound name
N-(2,6-dibromophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.89896 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.90624 158.4
[M+Na]+ 437.88818 171.1
[M-H]- 413.89168 167.6
[M+NH4]+ 432.93278 176.6
[M+K]+ 453.86212 155.8
[M+H-H2O]+ 397.89622 166.9
[M+HCOO]- 459.89716 170.4
[M+CH3COO]- 473.91281 172.1
[M+Na-2H]- 435.87363 161.1
[M]+ 414.89841 194.4
[M]- 414.89951 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.