CID 3088314

Brn 4206205

Structural Information

Molecular Formula
C24H39N3O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC2=NN=C(O2)N
InChI
InChI=1S/C24H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)28-20-23-26-27-24(25)29-23/h15,17-19H,2-14,16,20H2,1H3,(H2,25,27)
InChIKey
WKUOUUUSGAYKJP-UHFFFAOYSA-N
Compound name
5-[(3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.30423 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.31151 205.3
[M+Na]+ 424.29345 208.2
[M-H]- 400.29695 207.6
[M+NH4]+ 419.33805 213.5
[M+K]+ 440.26739 203.4
[M+H-H2O]+ 384.30149 194.1
[M+HCOO]- 446.30243 224.2
[M+CH3COO]- 460.31808 227.4
[M+Na-2H]- 422.27890 204.2
[M]+ 401.30368 212.1
[M]- 401.30478 212.1
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.