CID 171120345

Himalaflavone b

Structural Information

Molecular Formula
C18H18O5
SMILES
CC1=C(C=C2C(=O)[C@H]([C@@H](OC2=C1OC)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C18H18O5/c1-10-13(21-2)9-12-14(19)15(20)17(11-7-5-4-6-8-11)23-18(12)16(10)22-3/h4-9,15,17,20H,1-3H3/t15-,17+/m1/s1
InChIKey
QMFKCIGTCHYXMA-WBVHZDCISA-N
Compound name
(2S,3S)-3-hydroxy-6,8-dimethoxy-7-methyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 170.7
[M+Na]+ 337.10464 179.8
[M-H]- 313.10814 178.4
[M+NH4]+ 332.14924 184.8
[M+K]+ 353.07858 177.8
[M+H-H2O]+ 297.11268 162.9
[M+HCOO]- 359.11362 189.2
[M+CH3COO]- 373.12927 207.1
[M+Na-2H]- 335.09009 174.1
[M]+ 314.11487 174.7
[M]- 314.11597 174.7
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.