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 213.4
[M+Na]+ 458.25448 217.9
[M-H]- 434.25798 215.8
[M+NH4]+ 453.29908 221.3
[M+K]+ 474.22842 211.4
[M+H-H2O]+ 418.26252 202.7
[M+HCOO]- 480.26346 227.5
[M+CH3COO]- 494.27911 232.0
[M+Na-2H]- 456.23993 210.8
[M]+ 435.26471 222.5
[M]- 435.26581 222.5
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.