CID 2757125

(6-(4-bromophenyl)imidazo[2,1-b]thiazol-5-yl)methanamine

Structural Information

Molecular Formula
C12H10BrN3S
SMILES
C1=CC(=CC=C1C2=C(N3C=CSC3=N2)CN)Br
InChI
InChI=1S/C12H10BrN3S/c13-9-3-1-8(2-4-9)11-10(7-14)16-5-6-17-12(16)15-11/h1-6H,7,14H2
InChIKey
RBHGFZMBPWDIAR-UHFFFAOYSA-N
Compound name
[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.97787 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.98515 153.3
[M+Na]+ 329.96709 169.3
[M-H]- 305.97059 162.6
[M+NH4]+ 325.01169 175.1
[M+K]+ 345.94103 156.5
[M+H-H2O]+ 289.97513 153.5
[M+HCOO]- 351.97607 172.5
[M+CH3COO]- 365.99172 169.2
[M+Na-2H]- 327.95254 157.4
[M]+ 306.97732 175.5
[M]- 306.97842 175.5
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.