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 177.3
[M+Na]+ 345.14612 186.3
[M-H]- 321.14962 185.9
[M+NH4]+ 340.19072 193.7
[M+K]+ 361.12006 183.0
[M+H-H2O]+ 305.15416 168.9
[M+HCOO]- 367.15510 197.5
[M+CH3COO]- 381.17075 209.9
[M+Na-2H]- 343.13157 182.6
[M]+ 322.15635 182.0
[M]- 322.15745 182.0
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.