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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.985146	153.3
[M+Na]+	329.967088	169.3
[M-H]-	305.970594	162.6
[M+NH4]+	325.011693	175.1
[M+K]+	345.941028	156.5
[M+H-H2O]+	289.975130	153.5
[M+HCOO]-	351.976071	172.5
[M+CH3COO]-	365.991721	169.2
[M+Na-2H]-	327.952536	157.4
[M]+	306.97732142	175.5
[M]-	306.97841858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.