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]+ 402.311506 205.3
[M+Na]+ 424.293448 208.2
[M-H]- 400.296954 207.6
[M+NH4]+ 419.338053 213.5
[M+K]+ 440.267388 203.4
[M+H-H2O]+ 384.301490 194.1
[M+HCOO]- 446.302431 224.2
[M+CH3COO]- 460.318081 227.4
[M+Na-2H]- 422.278896 204.2
[M]+ 401.30368142 212.1
[M]- 401.30477858 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.