CID 5472480

Dorsmanin a

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1(CCC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+
InChIKey
UDSAJERKQRQHJR-WEVVVXLNSA-N
Compound name
(E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

324.13617 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.4
[M+Na]+ 347.12539 183.8
[M-H]- 323.12889 182.1
[M+NH4]+ 342.16999 191.0
[M+K]+ 363.09933 179.9
[M+H-H2O]+ 307.13343 169.2
[M+HCOO]- 369.13437 191.8
[M+CH3COO]- 383.15002 205.0
[M+Na-2H]- 345.11084 179.6
[M]+ 324.13562 176.1
[M]- 324.13672 176.1
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

patents stripe