CID 460829

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

Structural Information

Molecular Formula
C13H12Cl2N2O3S
SMILES
CCOC(=O)NC1=NC(CS1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2O3S/c1-2-20-13(19)17-12-16-10(6-21-12)11(18)7-3-4-8(14)9(15)5-7/h3-5,10H,2,6H2,1H3,(H,16,17,19)
InChIKey
HMZDZQNMUQFVBA-UHFFFAOYSA-N
Compound name
ethyl 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

345.99457 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.00185 174.3
[M+Na]+ 368.98379 183.1
[M-H]- 344.98729 180.0
[M+NH4]+ 364.02839 190.0
[M+K]+ 384.95773 177.6
[M+H-H2O]+ 328.99183 168.8
[M+HCOO]- 390.99277 182.4
[M+CH3COO]- 405.00842 206.1
[M+Na-2H]- 366.96924 171.9
[M]+ 345.99402 180.2
[M]- 345.99512 180.2
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.