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

literature stripe

Patent stripe

patents stripe