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 142.0
[M+Na]+ 290.95620 154.7
[M-H]- 266.95970 150.8
[M+NH4]+ 286.00080 163.4
[M+K]+ 306.93014 142.4
[M+H-H2O]+ 250.96424 141.6
[M+HCOO]- 312.96518 161.3
[M+CH3COO]- 326.98083 157.6
[M+Na-2H]- 288.94165 148.2
[M]+ 267.96643 161.9
[M]- 267.96753 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.