CID 460709

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

Structural Information

Molecular Formula
C13H13BrN2O3S
SMILES
CCOC(=O)NC1=NC(CS1)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H13BrN2O3S/c1-2-19-13(18)16-12-15-10(7-20-12)11(17)8-3-5-9(14)6-4-8/h3-6,10H,2,7H2,1H3,(H,15,16,18)
InChIKey
DPHCKWVCNPHYQV-UHFFFAOYSA-N
Compound name
ethyl 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

355.98303 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99031 165.7
[M+Na]+ 378.97225 176.1
[M-H]- 354.97575 174.0
[M+NH4]+ 374.01685 183.3
[M+K]+ 394.94619 164.6
[M+H-H2O]+ 338.98029 164.5
[M+HCOO]- 400.98123 181.5
[M+CH3COO]- 414.99688 205.8
[M+Na-2H]- 376.95770 167.1
[M]+ 355.98248 186.7
[M]- 355.98358 186.7
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.