CID 135433296

173165-28-1

Structural Information

Molecular Formula
C12H13Cl2N5S
SMILES
CN(C)C(=N)C1=NNN=C1SCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H13Cl2N5S/c1-19(2)11(15)10-12(17-18-16-10)20-6-7-3-4-8(13)9(14)5-7/h3-5,15H,6H2,1-2H3,(H,16,17,18)
InChIKey
SBWKYTMQCVTNEM-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-2H-triazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

329.0269 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.03418 171.2
[M+Na]+ 352.01612 180.6
[M-H]- 328.01962 174.3
[M+NH4]+ 347.06072 184.7
[M+K]+ 367.99006 173.8
[M+H-H2O]+ 312.02416 163.6
[M+HCOO]- 374.02510 178.4
[M+CH3COO]- 388.04075 181.3
[M+Na-2H]- 350.00157 170.3
[M]+ 329.02635 174.8
[M]- 329.02745 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.