CID 10526707

Kaempferol 3-p-coumarate

Structural Information

Molecular Formula
C24H16O8
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C24H16O8/c25-15-6-1-13(2-7-15)3-10-20(29)32-24-22(30)21-18(28)11-17(27)12-19(21)31-23(24)14-4-8-16(26)9-5-14/h1-12,25-28H/b10-3+
InChIKey
OBSPVONVWCVMCK-XCVCLJGOSA-N
Compound name
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0845 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09178 199.5
[M+Na]+ 455.07372 207.7
[M-H]- 431.07722 206.8
[M+NH4]+ 450.11832 205.6
[M+K]+ 471.04766 204.2
[M+H-H2O]+ 415.08176 189.6
[M+HCOO]- 477.08270 214.9
[M+CH3COO]- 491.09835 221.7
[M+Na-2H]- 453.05917 201.0
[M]+ 432.08395 202.7
[M]- 432.08505 202.7
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

No patent data available for this compound.