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]+ 285.11214 161.6
[M+Na]+ 307.09408 173.4
[M-H]- 283.09758 168.1
[M+NH4]+ 302.13868 181.2
[M+K]+ 323.06802 170.5
[M+H-H2O]+ 267.10212 156.3
[M+HCOO]- 329.10306 177.9
[M+CH3COO]- 343.11871 174.7
[M+Na-2H]- 305.07953 169.1
[M]+ 284.10431 165.8
[M]- 284.10541 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.