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
2
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

literature stripe

Patent stripe

patents stripe