CID 8590

Proxazole

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC
InChI
InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
InChIKey
OLTAWOVKGWWERU-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

7643
Patents

287.19977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 171.1
[M+Na]+ 310.18899 182.8
[M+NH4]+ 305.23359 178.1
[M+K]+ 326.16293 177.9
[M-H]- 286.19249 175.6
[M+Na-2H]- 308.17444 177.6
[M]+ 287.19922 173.9
[M]- 287.20032 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe