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 173.0
[M+Na]+ 329.12606 180.6
[M-H]- 305.12956 180.8
[M+NH4]+ 324.17066 185.1
[M+K]+ 345.10000 176.6
[M+H-H2O]+ 289.13410 163.0
[M+HCOO]- 351.13504 193.8
[M+CH3COO]- 365.15069 184.2
[M+Na-2H]- 327.11151 175.8
[M]+ 306.13629 175.6
[M]- 306.13739 175.6
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.