CID 5277587

Isomesuol

Structural Information

Molecular Formula
C24H24O5
SMILES
CC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O
InChI
InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)19-17(15-8-6-5-7-9-15)12-18(25)29-24(19)20(23(16)28)21(26)14(3)4/h5-10,12,14,27-28H,11H2,1-4H3
InChIKey
HFESPLMGUIFVMR-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

392.16238 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.169656 194.0
[M+Na]+ 415.151598 201.5
[M-H]- 391.155104 200.1
[M+NH4]+ 410.196203 203.9
[M+K]+ 431.125538 197.9
[M+H-H2O]+ 375.159640 185.8
[M+HCOO]- 437.160581 209.0
[M+CH3COO]- 451.176231 223.0
[M+Na-2H]- 413.137046 192.1
[M]+ 392.16183142 197.7
[M]- 392.16292858 197.7
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