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]+ 268.974256 142.0
[M+Na]+ 290.956198 154.7
[M-H]- 266.959704 150.8
[M+NH4]+ 286.000803 163.4
[M+K]+ 306.930138 142.4
[M+H-H2O]+ 250.964240 141.6
[M+HCOO]- 312.965181 161.3
[M+CH3COO]- 326.980831 157.6
[M+Na-2H]- 288.941646 148.2
[M]+ 267.96643142 161.9
[M]- 267.96752858 161.9
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.