CID 14353465

4'-hydroxyisolonchocarpin

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C20H18O4/c1-20(2)10-9-15-17(24-20)8-7-14-16(22)11-18(23-19(14)15)12-3-5-13(21)6-4-12/h3-10,18,21H,11H2,1-2H3
InChIKey
AXHFLNLBMFDETO-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.6
[M+Na]+ 345.10972 183.8
[M-H]- 321.11322 183.4
[M+NH4]+ 340.15432 189.6
[M+K]+ 361.08366 181.4
[M+H-H2O]+ 305.11776 166.1
[M+HCOO]- 367.11870 189.4
[M+CH3COO]- 381.13435 186.0
[M+Na-2H]- 343.09517 180.9
[M]+ 322.11995 175.6
[M]- 322.12105 175.6
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.