CID 102523468

Methyl 2-[(4-chloro-1,3-thiazol-2-yl)carbamoyl]-4-methylbenzoate

Structural Information

Molecular Formula
C13H11ClN2O3S
SMILES
CC1=CC(=C(C=C1)C(=O)OC)C(=O)NC2=NC(=CS2)Cl
InChI
InChI=1S/C13H11ClN2O3S/c1-7-3-4-8(12(18)19-2)9(5-7)11(17)16-13-15-10(14)6-20-13/h3-6H,1-2H3,(H,15,16,17)
InChIKey
YVTXSJMDCBNRHS-UHFFFAOYSA-N
Compound name
methyl 2-[(4-chloro-1,3-thiazol-2-yl)carbamoyl]-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.01788 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02516 167.4
[M+Na]+ 333.00710 177.0
[M-H]- 309.01060 174.1
[M+NH4]+ 328.05170 184.1
[M+K]+ 348.98104 172.3
[M+H-H2O]+ 293.01514 161.1
[M+HCOO]- 355.01608 181.9
[M+CH3COO]- 369.03173 202.2
[M+Na-2H]- 330.99255 166.5
[M]+ 310.01733 173.8
[M]- 310.01843 173.8
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.