CID 460826

Methyl n-[4-(3,4-dichlorobenzoyl)-4,5-dihydrothiazol-2-yl]carbamate

Structural Information

Molecular Formula
C12H10Cl2N2O3S
SMILES
COC(=O)NC1=NC(CS1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2O3S/c1-19-12(18)16-11-15-9(5-20-11)10(17)6-2-3-7(13)8(14)4-6/h2-4,9H,5H2,1H3,(H,15,16,18)
InChIKey
PYSWERQYSQUWRY-UHFFFAOYSA-N
Compound name
methyl N-[4-(3,4-dichlorobenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.9789 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.98618 169.9
[M+Na]+ 354.96812 179.1
[M-H]- 330.97162 175.8
[M+NH4]+ 350.01272 186.1
[M+K]+ 370.94206 173.9
[M+H-H2O]+ 314.97616 164.6
[M+HCOO]- 376.97710 178.3
[M+CH3COO]- 390.99275 203.2
[M+Na-2H]- 352.95357 168.0
[M]+ 331.97835 175.5
[M]- 331.97945 175.5
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.