CID 4003387

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethan-1-amine

Structural Information

Molecular Formula
C11H11BrN2S
SMILES
CC(C1=NC(=CS1)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H11BrN2S/c1-7(13)11-14-10(6-15-11)8-2-4-9(12)5-3-8/h2-7H,13H2,1H3
InChIKey
KUWRUGPKOMAJOU-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.98264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98992 146.2
[M+Na]+ 304.97186 149.3
[M+NH4]+ 300.01646 151.8
[M+K]+ 320.94580 149.1
[M-H]- 280.97536 148.8
[M+Na-2H]- 302.95731 150.8
[M]+ 281.98209 146.6
[M]- 281.98319 146.6
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.