CID 394064

Nsc697182

Structural Information

Molecular Formula
C22H36N6O2
SMILES
C1CCN(CC1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)N4CCCCC4
InChI
InChI=1S/C22H36N6O2/c1(3-7-13-19-23-25-21(29-19)27-15-9-5-10-16-27)2-4-8-14-20-24-26-22(30-20)28-17-11-6-12-18-28/h1-18H2
InChIKey
QSAAYCMBTXGCHP-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-5-[8-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.28998 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.29726 201.4
[M+Na]+ 439.27920 203.3
[M-H]- 415.28270 205.2
[M+NH4]+ 434.32380 203.0
[M+K]+ 455.25314 199.7
[M+H-H2O]+ 399.28724 187.1
[M+HCOO]- 461.28818 210.1
[M+CH3COO]- 475.30383 206.5
[M+Na-2H]- 437.26465 196.7
[M]+ 416.28943 199.7
[M]- 416.29053 199.7
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.