CID 42607957

5,7-dihydroxy-4'-methoxy-8-c-(2-hydroxy-3-methyl-3-butenyl)flavanone

Structural Information

Molecular Formula
C21H22O6
SMILES
CC(=C(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)OC)O)C
InChI
InChI=1S/C21H22O6/c1-11(2)15(22)8-14-16(23)9-17(24)20-18(25)10-19(27-21(14)20)12-4-6-13(26-3)7-5-12/h4-7,9,19,22-24H,8,10H2,1-3H3
InChIKey
UDGMFQSBPUDAJA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(2-hydroxy-3-methylbut-2-enyl)-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 186.5
[M+Na]+ 393.13085 192.9
[M-H]- 369.13435 191.0
[M+NH4]+ 388.17545 196.6
[M+K]+ 409.10479 190.1
[M+H-H2O]+ 353.13889 179.0
[M+HCOO]- 415.13983 199.2
[M+CH3COO]- 429.15548 214.8
[M+Na-2H]- 391.11630 185.4
[M]+ 370.14108 187.5
[M]- 370.14218 187.5
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.