CID 3079064

1,3,4-oxadiazol-2-amine, 5-(1-methyl-1-(3-pentadecylphenoxy)ethyl)-

Structural Information

Molecular Formula
C26H43N3O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C2=NN=C(O2)N
InChI
InChI=1S/C26H43N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)31-26(2,3)24-28-29-25(27)30-24/h17,19-21H,4-16,18H2,1-3H3,(H2,27,29)
InChIKey
FBWIFMWLICNENI-UHFFFAOYSA-N
Compound name
5-[2-(3-pentadecylphenoxy)propan-2-yl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.33554 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.34282 215.4
[M+Na]+ 452.32476 217.8
[M-H]- 428.32826 217.7
[M+NH4]+ 447.36936 222.6
[M+K]+ 468.29870 213.2
[M+H-H2O]+ 412.33280 204.7
[M+HCOO]- 474.33374 232.0
[M+CH3COO]- 488.34939 233.8
[M+Na-2H]- 450.31021 214.2
[M]+ 429.33499 222.4
[M]- 429.33609 222.4
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.