CID 477326

Schembl8400162

Structural Information

Molecular Formula
C13H14ClN3OS
SMILES
CCCN(C)C(=O)C1=NSN=C1C2=CC=CC=C2Cl
InChI
InChI=1S/C13H14ClN3OS/c1-3-8-17(2)13(18)12-11(15-19-16-12)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3
InChIKey
GHCVAXBGZCPOQS-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-N-methyl-N-propyl-1,2,5-thiadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.0546 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06188 165.4
[M+Na]+ 318.04382 174.7
[M-H]- 294.04732 171.6
[M+NH4]+ 313.08842 182.0
[M+K]+ 334.01776 170.2
[M+H-H2O]+ 278.05186 157.6
[M+HCOO]- 340.05280 179.5
[M+CH3COO]- 354.06845 203.5
[M+Na-2H]- 316.02927 165.2
[M]+ 295.05405 171.6
[M]- 295.05515 171.6
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.