CID 3072297

141400-67-1

Structural Information

Molecular Formula
C12H20N4OS
SMILES
CCC1=NN=C(S1)NC(=O)CN2CCCCC2C
InChI
InChI=1S/C12H20N4OS/c1-3-11-14-15-12(18-11)13-10(17)8-16-7-5-4-6-9(16)2/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKey
YVIBORJHYFJLAS-UHFFFAOYSA-N
Compound name
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14305 162.4
[M+Na]+ 291.12499 168.3
[M-H]- 267.12849 164.7
[M+NH4]+ 286.16959 177.0
[M+K]+ 307.09893 164.9
[M+H-H2O]+ 251.13303 153.7
[M+HCOO]- 313.13397 175.4
[M+CH3COO]- 327.14962 197.3
[M+Na-2H]- 289.11044 160.9
[M]+ 268.13522 161.4
[M]- 268.13632 161.4
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

No patent data available for this compound.