CID 135949742

4-[5-(5-aminopentyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenol hydrochloride

Structural Information

Molecular Formula
C14H19N3O3
SMILES
COC1=C(C=CC(=C1)C2=NOC(=N2)CCCCCN)O
InChI
InChI=1S/C14H19N3O3/c1-19-12-9-10(6-7-11(12)18)14-16-13(20-17-14)5-3-2-4-8-15/h6-7,9,18H,2-5,8,15H2,1H3
InChIKey
FNGCAZOKBQUEKJ-UHFFFAOYSA-N
Compound name
4-[5-(5-aminopentyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 164.3
[M+Na]+ 300.13186 172.1
[M-H]- 276.13536 167.6
[M+NH4]+ 295.17646 177.2
[M+K]+ 316.10580 169.3
[M+H-H2O]+ 260.13990 155.6
[M+HCOO]- 322.14084 185.4
[M+CH3COO]- 336.15649 198.8
[M+Na-2H]- 298.11731 167.4
[M]+ 277.14209 167.7
[M]- 277.14319 167.7
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.