CID 6477182

Dimethylcurcumin

Structural Information

Molecular Formula
C23H24O6
SMILES
COC1=C(C=C(C=C1)/C=C/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)OC)OC)/O)OC
InChI
InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-
InChIKey
ZMGUKFHHNQMKJI-CIOHCNBKSA-N
Compound name
(1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

63
References

477
Patents

396.1573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.164576 194.0
[M+Na]+ 419.146518 199.9
[M-H]- 395.150024 199.0
[M+NH4]+ 414.191123 204.4
[M+K]+ 435.120458 195.9
[M+H-H2O]+ 379.154560 185.2
[M+HCOO]- 441.155501 213.7
[M+CH3COO]- 455.171151 220.3
[M+Na-2H]- 417.131966 191.9
[M]+ 396.15675142 200.2
[M]- 396.15784858 200.2
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