CID 5271232

105639-12-1

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C(=O)C
InChI
InChI=1S/C20H24N2O4/c1-14-12-17(26-22-14)6-4-3-5-10-24-19-8-7-16(13-18(19)15(2)23)20-21-9-11-25-20/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKey
BWQIFGACAIDXBA-UHFFFAOYSA-N
Compound name
1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

356.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 185.5
[M+Na]+ 379.16282 191.9
[M-H]- 355.16632 193.9
[M+NH4]+ 374.20742 196.1
[M+K]+ 395.13676 190.6
[M+H-H2O]+ 339.17086 176.7
[M+HCOO]- 401.17180 204.7
[M+CH3COO]- 415.18745 213.3
[M+Na-2H]- 377.14827 184.1
[M]+ 356.17305 191.9
[M]- 356.17415 191.9
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

patents stripe