CID 477315

N1-diethyl-n2-[3-(2,6-dichlorophenyl)-1,2,5-thiadiazol-4-yl]acetamidine

Structural Information

Molecular Formula
C14H16Cl2N4S
SMILES
CCN(CC)C(=NC1=NSN=C1C2=C(C=CC=C2Cl)Cl)C
InChI
InChI=1S/C14H16Cl2N4S/c1-4-20(5-2)9(3)17-14-13(18-21-19-14)12-10(15)7-6-8-11(12)16/h6-8H,4-5H2,1-3H3
InChIKey
UUSNYMSQAPGOHZ-UHFFFAOYSA-N
Compound name
N'-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-N,N-diethylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.04727 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05455 178.3
[M+Na]+ 365.03649 187.7
[M-H]- 341.03999 185.1
[M+NH4]+ 360.08109 194.0
[M+K]+ 381.01043 182.2
[M+H-H2O]+ 325.04453 170.3
[M+HCOO]- 387.04547 188.9
[M+CH3COO]- 401.06112 216.3
[M+Na-2H]- 363.02194 176.8
[M]+ 342.04672 185.7
[M]- 342.04782 185.7
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.