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]+ 518.21022 229.5
[M+Na]+ 540.19216 235.1
[M-H]- 516.19566 230.6
[M+NH4]+ 535.23676 235.4
[M+K]+ 556.16610 227.3
[M+H-H2O]+ 500.20020 220.0
[M+HCOO]- 562.20114 231.7
[M+CH3COO]- 576.21679 245.2
[M+Na-2H]- 538.17761 222.2
[M]+ 517.20239 239.9
[M]- 517.20349 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.