CID 617263

O-isopentenylhalfordinol

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC(=CCOC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3)C
InChI
InChI=1S/C19H18N2O2/c1-14(2)9-11-22-17-7-5-15(6-8-17)18-13-21-19(23-18)16-4-3-10-20-12-16/h3-10,12-13H,11H2,1-2H3
InChIKey
CPMFTHYYYPZYOB-UHFFFAOYSA-N
Compound name
5-[4-(3-methylbut-2-enoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.13684 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.9
[M+Na]+ 329.12606 188.2
[M+NH4]+ 324.17066 180.3
[M+K]+ 345.10000 182.2
[M-H]- 305.12956 179.0
[M+Na-2H]- 327.11151 182.3
[M]+ 306.13629 176.9
[M]- 306.13739 176.9
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

No patent data available for this compound.