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]+ 269.143046 162.4
[M+Na]+ 291.124988 168.3
[M-H]- 267.128494 164.7
[M+NH4]+ 286.169593 177.0
[M+K]+ 307.098928 164.9
[M+H-H2O]+ 251.133030 153.7
[M+HCOO]- 313.133971 175.4
[M+CH3COO]- 327.149621 197.3
[M+Na-2H]- 289.110436 160.9
[M]+ 268.13522142 161.4
[M]- 268.13631858 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.