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

7742
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 172.3
[M+Na]+ 310.18899 177.5
[M-H]- 286.19249 177.7
[M+NH4]+ 305.23359 185.9
[M+K]+ 326.16293 176.0
[M+H-H2O]+ 270.19703 162.5
[M+HCOO]- 332.19797 193.6
[M+CH3COO]- 346.21362 208.4
[M+Na-2H]- 308.17444 174.6
[M]+ 287.19922 176.5
[M]- 287.20032 176.5
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