CID 10862032

2,3,4,2',4',6'-hexamethoxychalcone

Structural Information

Molecular Formula
C21H24O7
SMILES
COC1=C(C(=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)OC)OC)OC
InChI
InChI=1S/C21H24O7/c1-23-14-11-17(25-3)19(18(12-14)26-4)15(22)9-7-13-8-10-16(24-2)21(28-6)20(13)27-5/h7-12H,1-6H3/b9-7+
InChIKey
LUGJWTLKPPWJAI-VQHVLOKHSA-N
Compound name
(E)-3-(2,3,4-trimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

388.1522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 188.2
[M+Na]+ 411.14142 196.5
[M-H]- 387.14492 195.6
[M+NH4]+ 406.18602 200.2
[M+K]+ 427.11536 195.4
[M+H-H2O]+ 371.14946 179.3
[M+HCOO]- 433.15040 210.8
[M+CH3COO]- 447.16605 223.4
[M+Na-2H]- 409.12687 187.7
[M]+ 388.15165 200.0
[M]- 388.15275 200.0
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