CID 101690823

11-methylgerberinol

Structural Information

Molecular Formula
C22H18O6
SMILES
CC1=C2C(=CC=C1)OC(=O)C(=C2O)C(C)C3=C(C4=C(C=CC=C4OC3=O)C)O
InChI
InChI=1S/C22H18O6/c1-10-6-4-8-13-15(10)19(23)17(21(25)27-13)12(3)18-20(24)16-11(2)7-5-9-14(16)28-22(18)26/h4-9,12,23-24H,1-3H3
InChIKey
DVOGDIBWOOVRGI-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)ethyl]-5-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.11035 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11763 188.7
[M+Na]+ 401.09957 201.2
[M-H]- 377.10307 198.2
[M+NH4]+ 396.14417 199.4
[M+K]+ 417.07351 199.0
[M+H-H2O]+ 361.10761 179.8
[M+HCOO]- 423.10855 206.1
[M+CH3COO]- 437.12420 200.5
[M+Na-2H]- 399.08502 192.9
[M]+ 378.10980 196.7
[M]- 378.11090 196.7
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

No patent data available for this compound.