CID 5860762

(1e,4e)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one

Structural Information

Molecular Formula
C21H22O5
SMILES
COC1=CC(=CC(=C1)/C=C/C(=O)/C=C/C2=CC(=CC(=C2)OC)OC)OC
InChI
InChI=1S/C21H22O5/c1-23-18-9-15(10-19(13-18)24-2)5-7-17(22)8-6-16-11-20(25-3)14-21(12-16)26-4/h5-14H,1-4H3/b7-5+,8-6+
InChIKey
VXKNQOUEXUHOLI-KQQUZDAGSA-N
Compound name
(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

44
Patents

354.14673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 183.1
[M+Na]+ 377.135948 190.5
[M-H]- 353.139454 189.9
[M+NH4]+ 372.180553 196.2
[M+K]+ 393.109888 187.1
[M+H-H2O]+ 337.143990 174.4
[M+HCOO]- 399.144931 205.7
[M+CH3COO]- 413.160581 215.1
[M+Na-2H]- 375.121396 183.6
[M]+ 354.14618142 190.5
[M]- 354.14727858 190.5
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