CID 3066813

111254-05-8

Structural Information

Molecular Formula
C25H41N3O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)C2=NN=C(O2)N
InChI
InChI=1S/C25H41N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-19-23(20-22)29-21(2)24-27-28-25(26)30-24/h16,18-21H,3-15,17H2,1-2H3,(H2,26,28)
InChIKey
FTJJMWCOBVPYBQ-UHFFFAOYSA-N
Compound name
5-[1-(3-pentadecylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.3199 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.32718 211.0
[M+Na]+ 438.30912 213.1
[M-H]- 414.31262 213.2
[M+NH4]+ 433.35372 218.5
[M+K]+ 454.28306 208.6
[M+H-H2O]+ 398.31716 199.8
[M+HCOO]- 460.31810 228.6
[M+CH3COO]- 474.33375 231.2
[M+Na-2H]- 436.29457 208.1
[M]+ 415.31935 217.5
[M]- 415.32045 217.5
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.