CID 158308

Anguvetin

Structural Information

Molecular Formula
C24H24O5
SMILES
CC1=C(C(=C(C(=C1OC)C(=O)CCC2=CC=CC=C2)O)CC3=CC=CC=C3O)O
InChI
InChI=1S/C24H24O5/c1-15-22(27)18(14-17-10-6-7-11-19(17)25)23(28)21(24(15)29-2)20(26)13-12-16-8-4-3-5-9-16/h3-11,25,27-28H,12-14H2,1-2H3
InChIKey
AJLNIEILVUYJPG-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxy-5-methylphenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.16238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16966 194.6
[M+Na]+ 415.15160 201.4
[M-H]- 391.15510 200.9
[M+NH4]+ 410.19620 203.9
[M+K]+ 431.12554 196.1
[M+H-H2O]+ 375.15964 185.4
[M+HCOO]- 437.16058 212.2
[M+CH3COO]- 451.17623 218.7
[M+Na-2H]- 413.13705 193.1
[M]+ 392.16183 197.1
[M]- 392.16293 197.1
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

No patent data available for this compound.