CID 3088315

Brn 4211552

Structural Information

Molecular Formula
C24H38ClN3O2
SMILES
CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OCC2=NN=C(O2)N)Cl
InChI
InChI=1S/C24H38ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-21(16-17-22(20)25)29-19-23-27-28-24(26)30-23/h16-18H,2-15,19H2,1H3,(H2,26,28)
InChIKey
UIIDQQACFJWDRV-UHFFFAOYSA-N
Compound name
5-[(4-chloro-3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.26526 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.27254 213.3
[M+Na]+ 458.25448 224.4
[M+NH4]+ 453.29908 218.4
[M+K]+ 474.22842 216.7
[M-H]- 434.25798 216.8
[M+Na-2H]- 456.23993 216.4
[M]+ 435.26471 216.0
[M]- 435.26581 216.0
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.