CID 7131577

1170455-92-1

Structural Information

Molecular Formula
C13H18N4OS
SMILES
C1CN(CCN1)CCCC2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C13H18N4OS/c1(7-17-8-5-14-6-9-17)4-12-15-13(16-18-12)11-3-2-10-19-11/h2-3,10,14H,1,4-9H2
InChIKey
QBRBMERSESJGMF-UHFFFAOYSA-N
Compound name
5-(3-piperazin-1-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.12012 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12740 160.3
[M+Na]+ 301.10934 168.4
[M-H]- 277.11284 164.5
[M+NH4]+ 296.15394 173.1
[M+K]+ 317.08328 164.8
[M+H-H2O]+ 261.11738 151.6
[M+HCOO]- 323.11832 173.4
[M+CH3COO]- 337.13397 170.9
[M+Na-2H]- 299.09479 159.5
[M]+ 278.11957 160.5
[M]- 278.12067 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.