CID 477330

Schembl8400436

Structural Information

Molecular Formula
C12H11Cl2N3O3S
SMILES
CN(CCO)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H11Cl2N3O3S/c1-17(5-6-18)12(19)20-11-10(15-21-16-11)9-7(13)3-2-4-8(9)14/h2-4,18H,5-6H2,1H3
InChIKey
HVMNQOKFCIRIBN-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-(2-hydroxyethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.9898 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99708 171.3
[M+Na]+ 369.97902 181.0
[M-H]- 345.98252 176.1
[M+NH4]+ 365.02362 185.6
[M+K]+ 385.95296 176.3
[M+H-H2O]+ 329.98706 164.8
[M+HCOO]- 391.98800 179.6
[M+CH3COO]- 406.00365 206.9
[M+Na-2H]- 367.96447 170.4
[M]+ 346.98925 179.3
[M]- 346.99035 179.3
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.