CID 21592420

Cyclomammeisin

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(C)CC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)CC(O2)C(C)(C)O
InChI
InChI=1S/C25H26O6/c1-13(2)10-17(26)21-22(28)20-15(14-8-6-5-7-9-14)12-19(27)31-23(20)16-11-18(25(3,4)29)30-24(16)21/h5-9,12-13,18,28-29H,10-11H2,1-4H3
InChIKey
PTQKDRQFGLKODH-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

422.17294 Da
Monoisotopic Mass

4.2
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