CID 3072296

Brn 4871281

Structural Information

Molecular Formula
C11H18N4OS
SMILES
CC1CCCCN1CC(=O)NC2=NN=C(S2)C
InChI
InChI=1S/C11H18N4OS/c1-8-5-3-4-6-15(8)7-10(16)12-11-14-13-9(2)17-11/h8H,3-7H2,1-2H3,(H,12,14,16)
InChIKey
XYLSYUKDZMUGCT-UHFFFAOYSA-N
Compound name
2-(2-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
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 158.1
[M+Na]+ 277.10935 167.3
[M+NH4]+ 272.15395 165.1
[M+K]+ 293.08329 162.0
[M-H]- 253.11285 159.8
[M+Na-2H]- 275.09480 162.2
[M]+ 254.11958 160.0
[M]- 254.12068 160.0
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.