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]+ 342.20638 183.5
[M+Na]+ 364.18832 189.0
[M-H]- 340.19182 192.6
[M+NH4]+ 359.23292 196.2
[M+K]+ 380.16226 187.1
[M+H-H2O]+ 324.19636 175.3
[M+HCOO]- 386.19730 204.5
[M+CH3COO]- 400.21295 210.1
[M+Na-2H]- 362.17377 183.7
[M]+ 341.19855 189.3
[M]- 341.19965 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.