CID 16227515

1803597-91-2

Structural Information

Molecular Formula
C11H14N4OS
SMILES
C1CN(CCN1)CC2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C11H14N4OS/c1-2-9(17-7-1)11-13-10(16-14-11)8-15-5-3-12-4-6-15/h1-2,7,12H,3-6,8H2
InChIKey
GCWWJONDLAANOF-UHFFFAOYSA-N
Compound name
5-(piperazin-1-ylmethyl)-3-thiophen-2-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]+ 251.09612 152.0
[M+Na]+ 273.07806 161.0
[M-H]- 249.08156 156.6
[M+NH4]+ 268.12266 165.9
[M+K]+ 289.05200 157.9
[M+H-H2O]+ 233.08610 143.6
[M+HCOO]- 295.08704 165.8
[M+CH3COO]- 309.10269 163.5
[M+Na-2H]- 271.06351 152.1
[M]+ 250.08829 151.6
[M]- 250.08939 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

patents stripe