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]+ 280.121106 165.6
[M+Na]+ 302.103048 173.8
[M-H]- 278.106554 169.4
[M+NH4]+ 297.147653 179.8
[M+K]+ 318.076988 169.0
[M+H-H2O]+ 262.111090 156.8
[M+HCOO]- 324.112031 182.9
[M+CH3COO]- 338.127681 199.4
[M+Na-2H]- 300.088496 168.9
[M]+ 279.11328142 169.4
[M]- 279.11437858 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.