CID 9952605

Dimethoxycurcumin

Structural Information

Molecular Formula
C23H24O6
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)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/h5-14H,15H2,1-4H3/b9-5+,10-6+
InChIKey
HMJSBVCDPKODEX-NXZHAISVSA-N
Compound name
(1E,6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

236
Patents

396.1573 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.164576 193.3
[M+Na]+ 419.146518 199.5
[M-H]- 395.150024 199.6
[M+NH4]+ 414.191123 204.3
[M+K]+ 435.120458 196.3
[M+H-H2O]+ 379.154560 184.1
[M+HCOO]- 441.155501 214.5
[M+CH3COO]- 455.171151 223.3
[M+Na-2H]- 417.131966 191.7
[M]+ 396.15675142 201.4
[M]- 396.15784858 201.4
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