CID 6481174

9-isopropenyl-5-methoxy-2-phenyl-4,8,9,10-tetrahydropyrano[2,3-h]chromen-4-ol

Structural Information

Molecular Formula
C22H22O4
SMILES
CC(=C)C1CC2=C3C(=C(C=C2OC1)OC)C(C=C(O3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H22O4/c1-13(2)15-9-16-19(25-12-15)11-20(24-3)21-17(23)10-18(26-22(16)21)14-7-5-4-6-8-14/h4-8,10-11,15,17,23H,1,9,12H2,2-3H3
InChIKey
BQNWBNHIHPPGJT-UHFFFAOYSA-N
Compound name
5-methoxy-2-phenyl-9-prop-1-en-2-yl-4,8,9,10-tetrahydropyrano[2,3-h]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15908 183.8
[M+Na]+ 373.14102 190.5
[M-H]- 349.14452 191.8
[M+NH4]+ 368.18562 195.3
[M+K]+ 389.11496 188.0
[M+H-H2O]+ 333.14906 174.9
[M+HCOO]- 395.15000 196.8
[M+CH3COO]- 409.16565 193.6
[M+Na-2H]- 371.12647 186.7
[M]+ 350.15125 184.3
[M]- 350.15235 184.3
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.