CID 15954247

(3s,4s)-2,2-dimethyl-3,4-dihydrobenzofuro[3,2-g]chromene-3,4-diol

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1([C@H]([C@H](C2=C(O1)C=C3C(=C2)C4=CC=CC=C4O3)O)O)C
InChI
InChI=1S/C17H16O4/c1-17(2)16(19)15(18)11-7-10-9-5-3-4-6-12(9)20-13(10)8-14(11)21-17/h3-8,15-16,18-19H,1-2H3/t15-,16-/m0/s1
InChIKey
SGIQMCRBJLAWSQ-HOTGVXAUSA-N
Compound name
(3S,4S)-2,2-dimethyl-3,4-dihydro-[1]benzofuro[3,2-g]chromene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 161.6
[M+Na]+ 307.094078 173.4
[M-H]- 283.097584 168.1
[M+NH4]+ 302.138683 181.2
[M+K]+ 323.068018 170.5
[M+H-H2O]+ 267.102120 156.3
[M+HCOO]- 329.103061 177.9
[M+CH3COO]- 343.118711 174.7
[M+Na-2H]- 305.079526 169.1
[M]+ 284.10431142 165.8
[M]- 284.10540858 165.8
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.