CID 21676329

Methylhildgardtol a

Structural Information

Molecular Formula
C22H24O4
SMILES
CC(=C)C1CC2=C3C(=C(C=C2O1)OC)[C@@H](C[C@H](O3)C4=CC=CC=C4)OC
InChI
InChI=1S/C22H24O4/c1-13(2)16-10-15-18(25-16)12-20(24-4)21-19(23-3)11-17(26-22(15)21)14-8-6-5-7-9-14/h5-9,12,16-17,19H,1,10-11H2,2-4H3/t16?,17-,19+/m0/s1
InChIKey
KCRBILJKGXMJLI-WFTITGEASA-N
Compound name
(2S,4R)-4,5-dimethoxy-2-phenyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 184.9
[M+Na]+ 375.15667 192.0
[M-H]- 351.16017 194.4
[M+NH4]+ 370.20127 199.1
[M+K]+ 391.13061 190.0
[M+H-H2O]+ 335.16471 177.6
[M+HCOO]- 397.16565 200.3
[M+CH3COO]- 411.18130 195.7
[M+Na-2H]- 373.14212 185.5
[M]+ 352.16690 188.1
[M]- 352.16800 188.1
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.