CID 3007727

2-[4-[7-(4-methyl-2-furyl)heptoxy]phenyl]-4,5-dihydrooxazole

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC1=COC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C21H27NO3/c1-17-15-20(25-16-17)7-5-3-2-4-6-13-23-19-10-8-18(9-11-19)21-22-12-14-24-21/h8-11,15-16H,2-7,12-14H2,1H3
InChIKey
HTSNUFNQEZOTNU-UHFFFAOYSA-N
Compound name
2-[4-[7-(4-methylfuran-2-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1991 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 183.5
[M+Na]+ 364.188318 189.0
[M-H]- 340.191824 192.6
[M+NH4]+ 359.232923 196.2
[M+K]+ 380.162258 187.1
[M+H-H2O]+ 324.196360 175.3
[M+HCOO]- 386.197301 204.5
[M+CH3COO]- 400.212951 210.1
[M+Na-2H]- 362.173766 183.7
[M]+ 341.19855142 189.3
[M]- 341.19964858 189.3
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.