CID 477310

Methyl 2,4-dichloro-3-[4-[methyl(propyl)carbamoyl]oxy-1,2,5-thiadiazol-3-yl]benzoate

Structural Information

Molecular Formula
C15H15Cl2N3O4S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2Cl)C(=O)OC)Cl
InChI
InChI=1S/C15H15Cl2N3O4S/c1-4-7-20(2)15(22)24-13-12(18-25-19-13)10-9(16)6-5-8(11(10)17)14(21)23-3/h5-6H,4,7H2,1-3H3
InChIKey
RQOCSSKIRWWDEY-UHFFFAOYSA-N
Compound name
methyl 2,4-dichloro-3-[4-[methyl(propyl)carbamoyl]oxy-1,2,5-thiadiazol-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.01602 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.02330 186.1
[M+Na]+ 426.00524 195.5
[M-H]- 402.00874 192.4
[M+NH4]+ 421.04984 198.9
[M+K]+ 441.97918 191.6
[M+H-H2O]+ 386.01328 179.3
[M+HCOO]- 448.01422 194.3
[M+CH3COO]- 462.02987 220.6
[M+Na-2H]- 423.99069 182.8
[M]+ 403.01547 197.5
[M]- 403.01657 197.5
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.