CID 3079065

Brn 4570175

Structural Information

Molecular Formula
C26H42ClN3O2
SMILES
CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(C)(C)C2=NN=C(O2)N)Cl
InChI
InChI=1S/C26H42ClN3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20-22(18-19-23(21)27)32-26(2,3)24-29-30-25(28)31-24/h18-20H,4-17H2,1-3H3,(H2,28,30)
InChIKey
PIIMQPWVNRYIKA-UHFFFAOYSA-N
Compound name
5-[2-(4-chloro-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

463.29657 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.30385 223.7
[M+Na]+ 486.28579 227.6
[M-H]- 462.28929 226.2
[M+NH4]+ 481.33039 230.6
[M+K]+ 502.25973 221.3
[M+H-H2O]+ 446.29383 213.3
[M+HCOO]- 508.29477 235.5
[M+CH3COO]- 522.31042 238.4
[M+Na-2H]- 484.27124 221.0
[M]+ 463.29602 233.0
[M]- 463.29712 233.0
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.