CID 394063

Nsc697181

Structural Information

Molecular Formula
C20H36N6O2
SMILES
CCN(CC)C1=NN=C(O1)CCCCCCCCC2=NN=C(O2)N(CC)CC
InChI
InChI=1S/C20H36N6O2/c1-5-25(6-2)19-23-21-17(27-19)15-13-11-9-10-12-14-16-18-22-24-20(28-18)26(7-3)8-4/h5-16H2,1-4H3
InChIKey
HDJZWHOILBVXON-UHFFFAOYSA-N
Compound name
5-[8-[5-(diethylamino)-1,3,4-oxadiazol-2-yl]octyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.28998 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29726 201.9
[M+Na]+ 415.27920 206.7
[M-H]- 391.28270 207.0
[M+NH4]+ 410.32380 209.6
[M+K]+ 431.25314 206.6
[M+H-H2O]+ 375.28724 190.1
[M+HCOO]- 437.28818 223.2
[M+CH3COO]- 451.30383 233.0
[M+Na-2H]- 413.26465 201.4
[M]+ 392.28943 213.6
[M]- 392.29053 213.6
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.