CID 21676330

Hildgardtol a

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(=C)C1CC2=C3C(=C(C=C2O1)OC)[C@@H](C[C@H](O3)C4=CC=CC=C4)O
InChI
InChI=1S/C21H22O4/c1-12(2)16-9-14-18(24-16)11-19(23-3)20-15(22)10-17(25-21(14)20)13-7-5-4-6-8-13/h4-8,11,15-17,22H,1,9-10H2,2-3H3/t15-,16?,17+/m1/s1
InChIKey
YSSBMAXDHVQWJV-SKQWJGTPSA-N
Compound name
(2S,4R)-5-methoxy-2-phenyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.2
[M+Na]+ 361.14102 187.3
[M-H]- 337.14452 188.6
[M+NH4]+ 356.18562 194.4
[M+K]+ 377.11496 184.8
[M+H-H2O]+ 321.14906 173.5
[M+HCOO]- 383.15000 194.6
[M+CH3COO]- 397.16565 190.8
[M+Na-2H]- 359.12647 181.1
[M]+ 338.15125 181.4
[M]- 338.15235 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.