CID 787680

Brn 4870823

Structural Information

Molecular Formula
C11H18N4OS
SMILES
CCC1=NN=C(S1)NC(=O)CN2CCCCC2
InChI
InChI=1S/C11H18N4OS/c1-2-10-13-14-11(17-10)12-9(16)8-15-6-4-3-5-7-15/h2-8H2,1H3,(H,12,14,16)
InChIKey
KFJLSHQKGHCUFI-UHFFFAOYSA-N
Compound name
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12741 157.7
[M+Na]+ 277.10935 163.2
[M-H]- 253.11285 159.8
[M+NH4]+ 272.15395 172.5
[M+K]+ 293.08329 160.1
[M+H-H2O]+ 237.11739 148.9
[M+HCOO]- 299.11833 171.1
[M+CH3COO]- 313.13398 193.2
[M+Na-2H]- 275.09480 157.4
[M]+ 254.11958 155.9
[M]- 254.12068 155.9
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.