CID 29270564

6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
C1=CC(=CC=C1C2=NOC(=N2)CCCCCCN)Cl
InChI
InChI=1S/C14H18ClN3O/c15-12-8-6-11(7-9-12)14-17-13(19-18-14)5-3-1-2-4-10-16/h6-9H,1-5,10,16H2
InChIKey
CKWFIMYEXAIQBT-UHFFFAOYSA-N
Compound name
6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11383 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 165.6
[M+Na]+ 302.10305 173.8
[M-H]- 278.10655 169.4
[M+NH4]+ 297.14765 179.8
[M+K]+ 318.07699 169.0
[M+H-H2O]+ 262.11109 156.8
[M+HCOO]- 324.11203 182.9
[M+CH3COO]- 338.12768 199.4
[M+Na-2H]- 300.08850 168.9
[M]+ 279.11328 169.4
[M]- 279.11438 169.4
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.