CID 6474893

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

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+
InChIKey
ISIMGBQRFXXNON-FCXRPNKRSA-N
Compound name
(1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

179
Patents

326.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.122696 174.9
[M+Na]+ 349.104638 182.4
[M-H]- 325.108144 179.3
[M+NH4]+ 344.149243 187.8
[M+K]+ 365.078578 177.6
[M+H-H2O]+ 309.112680 167.2
[M+HCOO]- 371.113621 195.2
[M+CH3COO]- 385.129271 204.5
[M+Na-2H]- 347.090086 175.5
[M]+ 326.11487142 177.9
[M]- 326.11596858 177.9
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.