CID 477327

Schembl8401144

Structural Information

Molecular Formula
C14H16ClN3OS
SMILES
CCCN(C)C(=O)CC1=NSN=C1C2=CC=CC=C2Cl
InChI
InChI=1S/C14H16ClN3OS/c1-3-8-18(2)13(19)9-12-14(17-20-16-12)10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3
InChIKey
BOOVEJRLBITJDL-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)-1,2,5-thiadiazol-3-yl]-N-methyl-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.07025 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07753 169.9
[M+Na]+ 332.05947 178.7
[M-H]- 308.06297 175.9
[M+NH4]+ 327.10407 185.8
[M+K]+ 348.03341 174.0
[M+H-H2O]+ 292.06751 161.9
[M+HCOO]- 354.06845 183.6
[M+CH3COO]- 368.08410 206.4
[M+Na-2H]- 330.04492 169.1
[M]+ 309.06970 176.4
[M]- 309.07080 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

patents stripe