CID 67772502

Trimethoxybenzylidene pentanedione

Structural Information

Molecular Formula
C15H18O5
SMILES
CC(=O)C(=CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)C
InChI
InChI=1S/C15H18O5/c1-9(16)12(10(2)17)6-11-7-13(18-3)15(20-5)14(8-11)19-4/h6-8H,1-5H3
InChIKey
ATNSJLDBJQDEBF-UHFFFAOYSA-N
Compound name
3-[(3,4,5-trimethoxyphenyl)methylidene]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

278.11542 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 160.0
[M+Na]+ 301.10464 167.5
[M-H]- 277.10814 163.9
[M+NH4]+ 296.14924 176.3
[M+K]+ 317.07858 166.8
[M+H-H2O]+ 261.11268 153.7
[M+HCOO]- 323.11362 181.3
[M+CH3COO]- 337.12927 202.6
[M+Na-2H]- 299.09009 159.7
[M]+ 278.11487 166.5
[M]- 278.11597 166.5
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.