CID 5319254

Mammea a/ac cyclo f

Structural Information

Molecular Formula
C24H24O6
SMILES
CCCC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)CC(O2)C(C)(C)O
InChI
InChI=1S/C24H24O6/c1-4-8-16(25)20-21(27)19-14(13-9-6-5-7-10-13)12-18(26)30-22(19)15-11-17(24(2,3)28)29-23(15)20/h5-7,9-10,12,17,27-28H,4,8,11H2,1-3H3
InChIKey
OBYOQQBVJXSKIF-UHFFFAOYSA-N
Compound name
6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-phenyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

408.1573 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.164576 197.3
[M+Na]+ 431.146518 205.5
[M-H]- 407.150024 205.3
[M+NH4]+ 426.191123 208.1
[M+K]+ 447.120458 203.3
[M+H-H2O]+ 391.154560 190.9
[M+HCOO]- 453.155501 210.7
[M+CH3COO]- 467.171151 223.7
[M+Na-2H]- 429.131966 199.2
[M]+ 408.15675142 202.8
[M]- 408.15784858 202.8
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.