CID 44259648

Vellokaempferol 3-methyl ether

Structural Information

Molecular Formula
C21H18O6
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC
InChI
InChI=1S/C21H18O6/c1-10(2)14-8-13-15(26-14)9-16-17(18(13)23)19(24)21(25-3)20(27-16)11-4-6-12(22)7-5-11/h4-7,9,14,22-23H,1,8H2,2-3H3
InChIKey
BTWAIEWIJBTSBE-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(4-hydroxyphenyl)-6-methoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11035 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11763 183.9
[M+Na]+ 389.09957 194.1
[M-H]- 365.10307 192.6
[M+NH4]+ 384.14417 196.7
[M+K]+ 405.07351 191.7
[M+H-H2O]+ 349.10761 177.4
[M+HCOO]- 411.10855 200.0
[M+CH3COO]- 425.12420 215.8
[M+Na-2H]- 387.08502 185.3
[M]+ 366.10980 189.4
[M]- 366.11090 189.4
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.