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 172.1
[M+Na]+ 326.10644 181.2
[M+NH4]+ 321.15104 178.6
[M+K]+ 342.08038 173.8
[M-H]- 302.10994 172.2
[M+Na-2H]- 324.09189 174.6
[M]+ 303.11667 173.8
[M]- 303.11777 173.8
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.