CID 6443491

Lonchocarpene

Structural Information

Molecular Formula
C21H22O3
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)/C=C/C3=CC(=CC(=C3)OC)OC)C
InChI
InChI=1S/C21H22O3/c1-21(2)10-9-17-11-15(7-8-20(17)24-21)5-6-16-12-18(22-3)14-19(13-16)23-4/h5-14H,1-4H3/b6-5+
InChIKey
KCNQDEVRXLDSOE-AATRIKPKSA-N
Compound name
6-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,2-dimethylchromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1569 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16418 176.5
[M+Na]+ 345.14612 192.9
[M+NH4]+ 340.19072 186.8
[M+K]+ 361.12006 182.0
[M-H]- 321.14962 183.4
[M+Na-2H]- 343.13157 185.8
[M]+ 322.15635 181.3
[M]- 322.15745 181.3
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.