CID 3066807

111253-97-5

Structural Information

Molecular Formula
C25H40ClN3O2
SMILES
CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(C)C2=NN=C(O2)N)Cl
InChI
InChI=1S/C25H40ClN3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-22(17-18-23(21)26)30-20(2)24-28-29-25(27)31-24/h17-20H,3-16H2,1-2H3,(H2,27,29)
InChIKey
ZVJLMALANQLMCD-UHFFFAOYSA-N
Compound name
5-[1-(4-chloro-3-pentadecylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.2809 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.28818 218.6
[M+Na]+ 472.27012 222.4
[M-H]- 448.27362 221.0
[M+NH4]+ 467.31472 225.9
[M+K]+ 488.24406 216.1
[M+H-H2O]+ 432.27816 207.9
[M+HCOO]- 494.27910 231.4
[M+CH3COO]- 508.29475 235.8
[M+Na-2H]- 470.25557 214.4
[M]+ 449.28035 227.5
[M]- 449.28145 227.5
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.