CID 44257419

7a-o-methyldeguelol

Structural Information

Molecular Formula
C23H24O6
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)C3CCOC4=CC(=C(C=C34)OC)OC)C
InChI
InChI=1S/C23H24O6/c1-23(2)9-7-14-17(29-23)6-5-15(22(14)25)21(24)13-8-10-28-18-12-20(27-4)19(26-3)11-16(13)18/h5-7,9,11-13,25H,8,10H2,1-4H3
InChIKey
SYOGFYMIPOYTIT-UHFFFAOYSA-N
Compound name
(6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl)-(5-hydroxy-2,2-dimethylchromen-6-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.1573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.1
[M+Na]+ 419.14652 201.9
[M-H]- 395.15002 202.6
[M+NH4]+ 414.19112 205.9
[M+K]+ 435.12046 201.3
[M+H-H2O]+ 379.15456 185.0
[M+HCOO]- 441.15550 207.0
[M+CH3COO]- 455.17115 223.6
[M+Na-2H]- 417.13197 197.5
[M]+ 396.15675 198.8
[M]- 396.15785 198.8
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.