CID 637437

Microfolione

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C(C2=C(C(=C1O)OC)O[C@H](CC2=O)C3=CC=CC=C3)O)C
InChI
InChI=1S/C21H22O5/c1-12(2)9-10-14-18(23)17-15(22)11-16(13-7-5-4-6-8-13)26-20(17)21(25-3)19(14)24/h4-9,16,23-24H,10-11H2,1-3H3/t16-/m1/s1
InChIKey
IMGRRXXTMXIKTA-MRXNPFEDSA-N
Compound name
(2R)-5,7-dihydroxy-8-methoxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

354.14673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.8
[M+Na]+ 377.13595 191.2
[M-H]- 353.13945 189.6
[M+NH4]+ 372.18055 195.5
[M+K]+ 393.10989 187.7
[M+H-H2O]+ 337.14399 176.0
[M+HCOO]- 399.14493 198.9
[M+CH3COO]- 413.16058 213.5
[M+Na-2H]- 375.12140 184.0
[M]+ 354.14618 185.7
[M]- 354.14728 185.7
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

patents stripe