CID 21676332

Hildgardtol b

Structural Information

Molecular Formula
C21H22O4
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)[C@@H](C[C@H](O3)C4=CC=CC=C4)O)C
InChI
InChI=1S/C21H22O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,15-16,22H,11H2,1-3H3/t15-,16+/m1/s1
InChIKey
REBMVOUERBNGPI-CVEARBPZSA-N
Compound name
(2S,4R)-5-methoxy-8,8-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.159076 180.5
[M+Na]+ 361.141018 188.9
[M-H]- 337.144524 189.1
[M+NH4]+ 356.185623 194.9
[M+K]+ 377.114958 186.9
[M+H-H2O]+ 321.149060 171.7
[M+HCOO]- 383.150001 194.8
[M+CH3COO]- 397.165651 191.3
[M+Na-2H]- 359.126466 186.2
[M]+ 338.15125142 182.5
[M]- 338.15234858 182.5
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.