CID 477325

3-(2,6-dichlorophenyl)-4-[2-(n-methyl-n-propylamino)ethoxy]-1,2,5-thiadiazole

Structural Information

Molecular Formula
C14H17Cl2N3OS
SMILES
CCCN(C)CCOC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H17Cl2N3OS/c1-3-7-19(2)8-9-20-14-13(17-21-18-14)12-10(15)5-4-6-11(12)16/h4-6H,3,7-9H2,1-2H3
InChIKey
IGPWLRXICWKMOJ-UHFFFAOYSA-N
Compound name
N-[2-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.04694 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05422 176.0
[M+Na]+ 368.03616 185.6
[M-H]- 344.03966 181.3
[M+NH4]+ 363.08076 191.2
[M+K]+ 384.01010 180.0
[M+H-H2O]+ 328.04420 168.4
[M+HCOO]- 390.04514 185.2
[M+CH3COO]- 404.06079 212.3
[M+Na-2H]- 366.02161 174.8
[M]+ 345.04639 184.9
[M]- 345.04749 184.9
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.