CID 50908588

26477-65-6

Structural Information

Molecular Formula
C24H30O7
SMILES
CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)OC(=O)C)O)CC=C(C)C)O
InChI
InChI=1S/C24H30O7/c1-7-13(5)21(27)20-23(29)15(10-9-12(3)4)22(28)19-16(11-18(26)31-24(19)20)17(8-2)30-14(6)25/h9,11,13,17,28-29H,7-8,10H2,1-6H3
InChIKey
CIJFRPODNXMJFU-UHFFFAOYSA-N
Compound name
1-[5,7-dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-2-oxochromen-4-yl]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.19916 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20644 201.0
[M+Na]+ 453.18838 206.9
[M-H]- 429.19188 203.5
[M+NH4]+ 448.23298 209.6
[M+K]+ 469.16232 205.6
[M+H-H2O]+ 413.19642 194.2
[M+HCOO]- 475.19736 213.4
[M+CH3COO]- 489.21301 231.9
[M+Na-2H]- 451.17383 195.3
[M]+ 430.19861 208.5
[M]- 430.19971 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

literature stripe

Patent stripe

No patent data available for this compound.