CID 16227516

2034067-56-4

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C1CN(CCN1)CC2=NC(=NO2)C3=CSC=C3
InChI
InChI=1S/C11H14N4OS/c1-6-17-8-9(1)11-13-10(16-14-11)7-15-4-2-12-3-5-15/h1,6,8,12H,2-5,7H2
InChIKey
UYTNVKUEBLIXNR-UHFFFAOYSA-N
Compound name
5-(piperazin-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08884 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.096116 152.0
[M+Na]+ 273.078058 161.0
[M-H]- 249.081564 156.6
[M+NH4]+ 268.122663 165.9
[M+K]+ 289.051998 157.9
[M+H-H2O]+ 233.086100 143.6
[M+HCOO]- 295.087041 165.8
[M+CH3COO]- 309.102691 163.5
[M+Na-2H]- 271.063506 152.1
[M]+ 250.08829142 151.6
[M]- 250.08938858 151.6
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.