CID 131752788

(s)-(e)-2'-(3,6-dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone

Structural Information

Molecular Formula
C24H28O5
SMILES
CC(C)CC/C(=C/CC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(O2)C=C(C=C3)O)/C
InChI
InChI=1S/C24H28O5/c1-14(2)4-5-15(3)6-8-18-17(10-11-20(26)24(18)28)23-13-21(27)19-9-7-16(25)12-22(19)29-23/h6-7,9-12,14,23,25-26,28H,4-5,8,13H2,1-3H3/b15-6+
InChIKey
XCUBCLPUFODHKK-GIDUJCDVSA-N
Compound name
2-[2-[(E)-3,6-dimethylhept-2-enyl]-3,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.19366 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20094 197.4
[M+Na]+ 419.18288 209.3
[M+NH4]+ 414.22748 202.7
[M+K]+ 435.15682 203.6
[M-H]- 395.18638 200.8
[M+Na-2H]- 417.16833 199.4
[M]+ 396.19311 199.9
[M]- 396.19421 199.9
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.