CID 3774068

5-(bromomethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazole

Structural Information

Molecular Formula
C11H12BrNOS
SMILES
COC1=CC=C(C=C1)C2=NCC(S2)CBr
InChI
InChI=1S/C11H12BrNOS/c1-14-9-4-2-8(3-5-9)11-13-7-10(6-12)15-11/h2-5,10H,6-7H2,1H3
InChIKey
HBOKCXDFZREDOY-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

284.9823 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.98958 148.4
[M+Na]+ 307.97152 161.3
[M-H]- 283.97502 157.1
[M+NH4]+ 303.01612 169.6
[M+K]+ 323.94546 149.8
[M+H-H2O]+ 267.97956 148.6
[M+HCOO]- 329.98050 165.3
[M+CH3COO]- 343.99615 193.7
[M+Na-2H]- 305.95697 151.9
[M]+ 284.98175 169.7
[M]- 284.98285 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.