CID 10250249

5'-methoxycurcumin

Structural Information

Molecular Formula
C22H22O7
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C22H22O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3/b7-4+,8-5+
InChIKey
MQJGAHXKAZGEGI-NSLJXJERSA-N
Compound name
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

398.13657 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 191.5
[M+Na]+ 421.12579 197.8
[M-H]- 397.12929 195.6
[M+NH4]+ 416.17039 201.1
[M+K]+ 437.09973 194.2
[M+H-H2O]+ 381.13383 183.0
[M+HCOO]- 443.13477 210.1
[M+CH3COO]- 457.15042 219.4
[M+Na-2H]- 419.11124 189.0
[M]+ 398.13602 197.4
[M]- 398.13712 197.4
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.