CID 21591195

Albanin d

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)/C)C
InChI
InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13-14,26-27,29H,4,6,12H2,1-3H3/b16-7+
InChIKey
KDUZVQDAWGTXTF-FRKPEAEDSA-N
Compound name
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

406.178 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 199.9
[M+Na]+ 429.16722 213.5
[M+NH4]+ 424.21182 204.8
[M+K]+ 445.14116 207.0
[M-H]- 405.17072 203.4
[M+Na-2H]- 427.15267 203.2
[M]+ 406.17745 202.7
[M]- 406.17855 202.7
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