CID 637394

Hirsutenone

Structural Information

Molecular Formula
C19H20O5
SMILES
C1=CC(=C(C=C1CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+
InChIKey
VWHYFMQKJYFLCC-DUXPYHPUSA-N
Compound name
(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

61
Patents

328.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 176.9
[M+Na]+ 351.12029 183.0
[M-H]- 327.12379 178.4
[M+NH4]+ 346.16489 188.2
[M+K]+ 367.09423 177.2
[M+H-H2O]+ 311.12833 169.6
[M+HCOO]- 373.12927 193.8
[M+CH3COO]- 387.14492 201.4
[M+Na-2H]- 349.10574 176.5
[M]+ 328.13052 177.0
[M]- 328.13162 177.0
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.