CID 21579161

Mab3

Structural Information

Molecular Formula
C25H26O6
SMILES
CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)CC(O2)C(C)(C)O
InChI
InChI=1S/C25H26O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-10,12-13,17,28-29H,5,11H2,1-4H3
InChIKey
AVIZABGQXBMRCJ-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylbutanoyl)-4-phenyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

422.17294 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 199.1
[M+Na]+ 445.16216 211.5
[M+NH4]+ 440.20676 204.6
[M+K]+ 461.13610 209.2
[M-H]- 421.16566 203.7
[M+Na-2H]- 443.14761 200.9
[M]+ 422.17239 202.2
[M]- 422.17349 202.2
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

patents stripe