CID 460705

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

Structural Information

Molecular Formula
C12H11ClN2O3S
SMILES
COC(=O)NC1=NC(CS1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O3S/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
WKZXZQJAWWXIGG-UHFFFAOYSA-N
Compound name
methyl 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

298.01788 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02516 164.6
[M+Na]+ 321.00710 172.8
[M-H]- 297.01060 170.7
[M+NH4]+ 316.05170 181.5
[M+K]+ 336.98104 168.6
[M+H-H2O]+ 281.01514 158.3
[M+HCOO]- 343.01608 178.1
[M+CH3COO]- 357.03173 197.7
[M+Na-2H]- 318.99255 164.0
[M]+ 298.01733 168.8
[M]- 298.01843 168.8
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.