CID 5270541

2'-hydroxy-3,4',4',5,6'-pentamethoxychalcone

Structural Information

Molecular Formula
C19H20O7
SMILES
COC1=CC(=C(C(=C1)O)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C19H20O7/c1-23-12-9-14(21)18(15(22)10-12)13(20)6-5-11-7-16(24-2)19(26-4)17(8-11)25-3/h5-10,21-22H,1-4H3/b6-5+
InChIKey
QJUNFFCFUSZMIR-AATRIKPKSA-N
Compound name
(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1209 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 180.2
[M+Na]+ 383.11012 188.5
[M-H]- 359.11362 185.2
[M+NH4]+ 378.15472 192.0
[M+K]+ 399.08406 186.2
[M+H-H2O]+ 343.11816 172.2
[M+HCOO]- 405.11910 200.4
[M+CH3COO]- 419.13475 213.1
[M+Na-2H]- 381.09557 179.7
[M]+ 360.12035 187.7
[M]- 360.12145 187.7
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.