CID 15609906

2',4'-dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone

Structural Information

Molecular Formula
C21H22O6
SMILES
CCC(C)C(=O)OC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C21H22O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h5-13,23-24H,4H2,1-3H3/b11-10+
InChIKey
ZYWRDXVAUPKYLO-ZHACJKMWSA-N
Compound name
[2,6-dihydroxy-4-methoxy-3-[(E)-3-phenylprop-2-enoyl]phenyl] 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 186.0
[M+Na]+ 393.13085 191.7
[M-H]- 369.13435 190.1
[M+NH4]+ 388.17545 196.7
[M+K]+ 409.10479 188.6
[M+H-H2O]+ 353.13889 178.0
[M+HCOO]- 415.13983 203.7
[M+CH3COO]- 429.15548 214.5
[M+Na-2H]- 391.11630 183.4
[M]+ 370.14108 189.9
[M]- 370.14218 189.9
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.