CID 477819

5-(5-aminopentoxy)-2-[3-(diethylamino)isoxazol-5-yl]phenol

Structural Information

Molecular Formula
C18H27N3O3
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OCCCCCN)O
InChI
InChI=1S/C18H27N3O3/c1-3-21(4-2)18-13-17(24-20-18)15-9-8-14(12-16(15)22)23-11-7-5-6-10-19/h8-9,12-13,22H,3-7,10-11,19H2,1-2H3
InChIKey
FQRNGESCVHAOOW-UHFFFAOYSA-N
Compound name
5-(5-aminopentoxy)-2-[3-(diethylamino)-1,2-oxazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.20523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21251 182.6
[M+Na]+ 356.19445 187.7
[M-H]- 332.19795 188.0
[M+NH4]+ 351.23905 194.8
[M+K]+ 372.16839 185.7
[M+H-H2O]+ 316.20249 173.4
[M+HCOO]- 378.20343 205.2
[M+CH3COO]- 392.21908 216.5
[M+Na-2H]- 354.17990 183.4
[M]+ 333.20468 187.3
[M]- 333.20578 187.3
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

No patent data available for this compound.