CID 460827

Methyl n-[4-(4-bromobenzoyl)-4,5-dihydrothiazol-2-yl]carbamate

Structural Information

Molecular Formula
C12H11BrN2O3S
SMILES
COC(=O)NC1=NC(CS1)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H11BrN2O3S/c1-18-12(17)15-11-14-9(6-19-11)10(16)7-2-4-8(13)5-3-7/h2-5,9H,6H2,1H3,(H,14,15,17)
InChIKey
DCRPJEMRNGTXIH-UHFFFAOYSA-N
Compound name
methyl N-[4-(4-bromobenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.96738 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.97466 161.3
[M+Na]+ 364.95660 172.1
[M-H]- 340.96010 169.8
[M+NH4]+ 360.00120 179.4
[M+K]+ 380.93054 160.8
[M+H-H2O]+ 324.96464 160.3
[M+HCOO]- 386.96558 177.4
[M+CH3COO]- 400.98123 203.0
[M+Na-2H]- 362.94205 163.2
[M]+ 341.96683 182.0
[M]- 341.96793 182.0
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.