CID 3012489

Chembl470668

Structural Information

Molecular Formula
C20H20O3
SMILES
CC1(C=CC2=C(O1)C=CC3=C2O[C@@H](CC3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C20H20O3/c1-20(2)12-11-16-18(23-20)10-6-14-5-9-17(22-19(14)16)13-3-7-15(21)8-4-13/h3-4,6-8,10-12,17,21H,5,9H2,1-2H3/t17-/m0/s1
InChIKey
OQLMXLAENGAHTP-KRWDZBQOSA-N
Compound name
4-[(2S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 172.5
[M+Na]+ 331.13046 180.7
[M-H]- 307.13396 180.9
[M+NH4]+ 326.17506 188.0
[M+K]+ 347.10440 178.1
[M+H-H2O]+ 291.13850 163.9
[M+HCOO]- 353.13944 187.1
[M+CH3COO]- 367.15509 183.6
[M+Na-2H]- 329.11591 179.3
[M]+ 308.14069 172.3
[M]- 308.14179 172.3
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.