CID 11418365

Schembl141996

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)/C)C
InChI
InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-21(28)24-22(29)14-23(30-25(19)24)17-8-10-18(26)11-9-17/h5,7-11,13,23,26-28H,4,6,12,14H2,1-3H3/b16-7+
InChIKey
GOAUTULGLLBZSR-FRKPEAEDSA-N
Compound name
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

408.19366 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 201.0
[M+Na]+ 431.18288 206.2
[M-H]- 407.18638 204.7
[M+NH4]+ 426.22748 209.6
[M+K]+ 447.15682 201.1
[M+H-H2O]+ 391.19092 193.0
[M+HCOO]- 453.19186 212.4
[M+CH3COO]- 467.20751 222.9
[M+Na-2H]- 429.16833 197.5
[M]+ 408.19311 201.0
[M]- 408.19421 201.0
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

patents stripe