CID 42607535

Anthyllin

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC1=C(C(=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)CC(C(=C)C)O)O)C
InChI
InChI=1S/C25H28O5/c1-15(2)5-7-18-11-17(12-19(25(18)30)13-23(28)16(3)4)6-10-22(27)21-9-8-20(26)14-24(21)29/h5-6,8-12,14,23,26,28-30H,3,7,13H2,1-2,4H3/b10-6+
InChIKey
TZWDALZQPXBPLH-UXBLZVDNSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.19366 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 199.3
[M+Na]+ 431.18288 203.4
[M-H]- 407.18638 200.3
[M+NH4]+ 426.22748 207.3
[M+K]+ 447.15682 197.4
[M+H-H2O]+ 391.19092 192.0
[M+HCOO]- 453.19186 211.6
[M+CH3COO]- 467.20751 221.5
[M+Na-2H]- 429.16833 191.8
[M]+ 408.19311 198.6
[M]- 408.19421 198.6
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.