CID 3066806

111253-96-4

Structural Information

Molecular Formula
C25H38Cl3N3O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OC(C)C2=NN=C(O2)N)Cl
InChI
InChI=1S/C25H38Cl3N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20(26)17-21(27)23(22(19)28)32-18(2)24-30-31-25(29)33-24/h17-18H,3-16H2,1-2H3,(H2,29,31)
InChIKey
GTLCKCDDCTXZLB-UHFFFAOYSA-N
Compound name
5-[1-(2,4,6-trichloro-3-pentadecylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.20294 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.210216 229.5
[M+Na]+ 540.192158 235.1
[M-H]- 516.195664 230.6
[M+NH4]+ 535.236763 235.4
[M+K]+ 556.166098 227.3
[M+H-H2O]+ 500.200200 220.0
[M+HCOO]- 562.201141 231.7
[M+CH3COO]- 576.216791 245.2
[M+Na-2H]- 538.177606 222.2
[M]+ 517.20239142 239.9
[M]- 517.20348858 239.9
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.