CID 477820

3-(diethylamino)-5-[2'-hydroxy-4'-(5-acetylaminopentoxy)phenyl]isoxazole

Structural Information

Molecular Formula
C20H29N3O4
SMILES
CCN(CC)C1=NOC(=C1)C2=C(C=C(C=C2)OCCCCCNC(=O)C)O
InChI
InChI=1S/C20H29N3O4/c1-4-23(5-2)20-14-19(27-22-20)17-10-9-16(13-18(17)25)26-12-8-6-7-11-21-15(3)24/h9-10,13-14,25H,4-8,11-12H2,1-3H3,(H,21,24)
InChIKey
KWBYRWBFASZKMU-UHFFFAOYSA-N
Compound name
N-[5-[4-[3-(diethylamino)-1,2-oxazol-5-yl]-3-hydroxyphenoxy]pentyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.21582 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22310 194.0
[M+Na]+ 398.20504 198.0
[M-H]- 374.20854 199.7
[M+NH4]+ 393.24964 204.5
[M+K]+ 414.17898 196.6
[M+H-H2O]+ 358.21308 184.4
[M+HCOO]- 420.21402 215.8
[M+CH3COO]- 434.22967 224.6
[M+Na-2H]- 396.19049 193.7
[M]+ 375.21527 200.3
[M]- 375.21637 200.3
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.