CID 477313

Schembl8788553

Structural Information

Molecular Formula
C13H14Cl2N4S
SMILES
CCCN(C)C=NC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H14Cl2N4S/c1-3-7-19(2)8-16-13-12(17-20-18-13)11-9(14)5-4-6-10(11)15/h4-6,8H,3,7H2,1-2H3
InChIKey
ANLZFFRHUYNRAC-UHFFFAOYSA-N
Compound name
N'-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-N-methyl-N-propylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.03162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03890 173.9
[M+Na]+ 351.02084 184.1
[M-H]- 327.02434 180.7
[M+NH4]+ 346.06544 190.2
[M+K]+ 366.99478 178.2
[M+H-H2O]+ 311.02888 165.9
[M+HCOO]- 373.02982 185.8
[M+CH3COO]- 387.04547 213.3
[M+Na-2H]- 349.00629 173.9
[M]+ 328.03107 181.5
[M]- 328.03217 181.5
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.