CID 460828

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

Structural Information

Molecular Formula
C13H13ClN2O3S
SMILES
CCOC(=O)NC1=NC(CS1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H13ClN2O3S/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
PITRBNKKFBREJX-UHFFFAOYSA-N
Compound name
ethyl N-[4-(4-chlorobenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.03354 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04082 169.0
[M+Na]+ 335.02276 176.8
[M-H]- 311.02626 175.0
[M+NH4]+ 330.06736 185.3
[M+K]+ 350.99670 172.4
[M+H-H2O]+ 295.03080 162.5
[M+HCOO]- 357.03174 182.2
[M+CH3COO]- 371.04739 200.7
[M+Na-2H]- 333.00821 167.9
[M]+ 312.03299 173.6
[M]- 312.03409 173.6
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.