CID 10449654

Carpachromene

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
InChIKey
YXOATFKTEDZPFL-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 175.7
[M+Na]+ 359.08898 193.2
[M+NH4]+ 354.13358 185.3
[M+K]+ 375.06292 184.2
[M-H]- 335.09248 183.3
[M+Na-2H]- 357.07443 183.4
[M]+ 336.09921 180.8
[M]- 336.10031 180.8
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.