CID 79398864

N-benzyl-4-bromo-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H9BrN2S
SMILES
C1=CC=C(C=C1)CNC2=NC(=CS2)Br
InChI
InChI=1S/C10H9BrN2S/c11-9-7-14-10(13-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)
InChIKey
NOAPLNAFBYNDSJ-UHFFFAOYSA-N
Compound name
N-benzyl-4-bromo-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.96698 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97426 142.9
[M+Na]+ 290.95620 146.5
[M+NH4]+ 286.00080 148.9
[M+K]+ 306.93014 145.3
[M-H]- 266.95970 145.8
[M+Na-2H]- 288.94165 148.6
[M]+ 267.96643 143.5
[M]- 267.96753 143.5
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.