CID 5321790

Bavachromanol

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1(C(CC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H20O5/c1-20(2)18(24)11-15-17(23)10-8-14(19(15)25-20)16(22)9-5-12-3-6-13(21)7-4-12/h3-10,18,21,23-24H,11H2,1-2H3/b9-5+
InChIKey
UGEVDAKDRYGXKU-WEVVVXLNSA-N
Compound name
(E)-1-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.13107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.6
[M+Na]+ 363.12029 187.2
[M-H]- 339.12379 184.2
[M+NH4]+ 358.16489 192.9
[M+K]+ 379.09423 183.3
[M+H-H2O]+ 323.12833 172.6
[M+HCOO]- 385.12927 193.5
[M+CH3COO]- 399.14492 206.5
[M+Na-2H]- 361.10574 181.9
[M]+ 340.13052 179.4
[M]- 340.13162 179.4
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