CID 477318

3-[4-(2,6-dichlorophenyl)-[1,2,5]thiadiazol-3-yloxymethyl]-pyridine

Structural Information

Molecular Formula
C14H9Cl2N3OS
SMILES
C1=CC(=C(C(=C1)Cl)C2=NSN=C2OCC3=CN=CC=C3)Cl
InChI
InChI=1S/C14H9Cl2N3OS/c15-10-4-1-5-11(16)12(10)13-14(19-21-18-13)20-8-9-3-2-6-17-7-9/h1-7H,8H2
InChIKey
QMOXBTMJGAILHQ-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-4-(pyridin-3-ylmethoxy)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.98434 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.99162 169.9
[M+Na]+ 359.97356 182.0
[M-H]- 335.97706 176.1
[M+NH4]+ 355.01816 183.4
[M+K]+ 375.94750 174.7
[M+H-H2O]+ 319.98160 161.2
[M+HCOO]- 381.98254 177.9
[M+CH3COO]- 395.99819 181.3
[M+Na-2H]- 357.95901 170.9
[M]+ 336.98379 176.4
[M]- 336.98489 176.4
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.