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]+ 431.206436 201.0
[M+Na]+ 453.188378 206.9
[M-H]- 429.191884 203.5
[M+NH4]+ 448.232983 209.6
[M+K]+ 469.162318 205.6
[M+H-H2O]+ 413.196420 194.2
[M+HCOO]- 475.197361 213.4
[M+CH3COO]- 489.213011 231.9
[M+Na-2H]- 451.173826 195.3
[M]+ 430.19861142 208.5
[M]- 430.19970858 208.5
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.