CID 3061341

Brn 4597994

Structural Information

Molecular Formula
C25H28O7
SMILES
CCC(=O)C1=CC(=C(C=C1)OCC(COC2=C(C=C(C=C2)C(=O)CC)C(=O)C)O)C(=O)C
InChI
InChI=1S/C25H28O7/c1-5-22(29)17-7-9-24(20(11-17)15(3)26)31-13-19(28)14-32-25-10-8-18(23(30)6-2)12-21(25)16(4)27/h7-12,19,28H,5-6,13-14H2,1-4H3
InChIKey
DONOBOYIWIRNKG-UHFFFAOYSA-N
Compound name
1-[3-acetyl-4-[3-(2-acetyl-4-propanoylphenoxy)-2-hydroxypropoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1835 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19078 202.7
[M+Na]+ 463.17272 206.3
[M-H]- 439.17622 207.3
[M+NH4]+ 458.21732 210.6
[M+K]+ 479.14666 204.7
[M+H-H2O]+ 423.18076 193.9
[M+HCOO]- 485.18170 218.8
[M+CH3COO]- 499.19735 233.0
[M+Na-2H]- 461.15817 196.6
[M]+ 440.18295 209.5
[M]- 440.18405 209.5
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.