CID 11517592

Mammea e/ba

Structural Information

Molecular Formula
C24H30O7
SMILES
CCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)OC(=O)C
InChI
InChI=1S/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3
InChIKey
YOWZJSSQEMLPTC-UHFFFAOYSA-N
Compound name
1-[5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-2-oxochromen-4-yl]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.19916 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20644 201.6
[M+Na]+ 453.18838 210.9
[M+NH4]+ 448.23298 203.9
[M+K]+ 469.16232 208.6
[M-H]- 429.19188 200.7
[M+Na-2H]- 451.17383 199.9
[M]+ 430.19861 202.2
[M]- 430.19971 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.