CID 5271231

105639-11-0

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)CC=C
InChI
InChI=1S/C21H26N2O3/c1-3-7-17-15-18(21-22-11-13-25-21)9-10-20(17)24-12-6-4-5-8-19-14-16(2)23-26-19/h3,9-10,14-15H,1,4-8,11-13H2,2H3
InChIKey
QNFVCRZEOACUMQ-UHFFFAOYSA-N
Compound name
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

354.19434 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.9
[M+Na]+ 377.18356 193.4
[M-H]- 353.18706 195.0
[M+NH4]+ 372.22816 197.8
[M+K]+ 393.15750 190.7
[M+H-H2O]+ 337.19160 177.9
[M+HCOO]- 399.19254 206.6
[M+CH3COO]- 413.20819 213.3
[M+Na-2H]- 375.16901 185.9
[M]+ 354.19379 192.8
[M]- 354.19489 192.8
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.