CID 44257435

Lespedezin

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC/C(=C/CC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O)/C)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-4-6-16(3)7-9-19-22(27)12-11-18-21-14-28-23-13-17(26)8-10-20(23)25(21)29-24(18)19/h5,7-8,10-13,21,25-27H,4,6,9,14H2,1-3H3/b16-7+
InChIKey
UYJNAIAJIBWJFS-FRKPEAEDSA-N
Compound name
10-[(2E)-3,7-dimethylocta-2,6-dienyl]-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 199.0
[M+Na]+ 415.18798 204.8
[M-H]- 391.19148 203.1
[M+NH4]+ 410.23258 211.5
[M+K]+ 431.16192 200.3
[M+H-H2O]+ 375.19602 192.6
[M+HCOO]- 437.19696 209.2
[M+CH3COO]- 451.21261 221.9
[M+Na-2H]- 413.17343 197.7
[M]+ 392.19821 200.9
[M]- 392.19931 200.9
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.