CID 477329

Schembl8401137

Structural Information

Molecular Formula
C13H10Cl2N4O2S
SMILES
CN(CCC#N)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H10Cl2N4O2S/c1-19(7-3-6-16)13(20)21-12-11(17-22-18-12)10-8(14)4-2-5-9(10)15/h2,4-5H,3,7H2,1H3
InChIKey
BAMMOHZRLAREAP-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-(2-cyanoethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

355.99014 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99742 179.8
[M+Na]+ 378.97936 191.4
[M-H]- 354.98286 184.3
[M+NH4]+ 374.02396 192.6
[M+K]+ 394.95330 186.0
[M+H-H2O]+ 338.98740 165.8
[M+HCOO]- 400.98834 186.1
[M+CH3COO]- 415.00399 220.3
[M+Na-2H]- 376.96481 178.2
[M]+ 355.98959 182.2
[M]- 355.99069 182.2
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

patents stripe