CID 631095

Tetramethylkaempferol

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)18-19(24-4)17(20)16-14(23-3)9-13(22-2)10-15(16)25-18/h5-10H,1-4H3
InChIKey
YZWIIEJLESXODL-UHFFFAOYSA-N
Compound name
3,5,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

73
Patents

342.11035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.117626 176.5
[M+Na]+ 365.099568 187.3
[M-H]- 341.103074 186.1
[M+NH4]+ 360.144173 190.2
[M+K]+ 381.073508 186.4
[M+H-H2O]+ 325.107610 167.6
[M+HCOO]- 387.108551 199.1
[M+CH3COO]- 401.124201 214.0
[M+Na-2H]- 363.085016 181.6
[M]+ 342.10980142 186.8
[M]- 342.11089858 186.8
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