CID 2415333

2-chloro-n-(5-nonyl-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C13H22ClN3OS
SMILES
CCCCCCCCCC1=NN=C(S1)NC(=O)CCl
InChI
InChI=1S/C13H22ClN3OS/c1-2-3-4-5-6-7-8-9-12-16-17-13(19-12)15-11(18)10-14/h2-10H2,1H3,(H,15,17,18)
InChIKey
QSFUUQWKKYSXQI-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-nonyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.11722 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12450 170.9
[M+Na]+ 326.10644 177.5
[M-H]- 302.10994 171.3
[M+NH4]+ 321.15104 186.5
[M+K]+ 342.08038 172.3
[M+H-H2O]+ 286.11448 163.4
[M+HCOO]- 348.11542 182.8
[M+CH3COO]- 362.13107 203.4
[M+Na-2H]- 324.09189 169.4
[M]+ 303.11667 177.5
[M]- 303.11777 177.5
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.