CID 3072302

Brn 4870707

Structural Information

Molecular Formula
C9H15N5OS
SMILES
CC1=NN=C(S1)N2CCN(CC2)CC(=O)N
InChI
InChI=1S/C9H15N5OS/c1-7-11-12-9(16-7)14-4-2-13(3-5-14)6-8(10)15/h2-6H2,1H3,(H2,10,15)
InChIKey
LBDICFUONDAXQW-UHFFFAOYSA-N
Compound name
2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09973 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10701 153.7
[M+Na]+ 264.08895 161.0
[M-H]- 240.09245 154.7
[M+NH4]+ 259.13355 167.6
[M+K]+ 280.06289 157.7
[M+H-H2O]+ 224.09699 144.9
[M+HCOO]- 286.09793 165.8
[M+CH3COO]- 300.11358 191.4
[M+Na-2H]- 262.07440 152.5
[M]+ 241.09918 151.2
[M]- 241.10028 151.2
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.