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

8
Patents

398.13657 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.143846 191.5
[M+Na]+ 421.125788 197.8
[M-H]- 397.129294 195.6
[M+NH4]+ 416.170393 201.1
[M+K]+ 437.099728 194.2
[M+H-H2O]+ 381.133830 183.0
[M+HCOO]- 443.134771 210.1
[M+CH3COO]- 457.150421 219.4
[M+Na-2H]- 419.111236 189.0
[M]+ 398.13602142 197.4
[M]- 398.13711858 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

literature stripe

Patent stripe

patents stripe