CID 6477675

2-hydroxy-3-[(1e)-3-phenylprop-1-enyl]naphthoquinone

Structural Information

Molecular Formula
C19H14O3
SMILES
C1=CC=C(C=C1)C/C=C/C2=C(C3=CC=CC=C3C(=O)C2=O)O
InChI
InChI=1S/C19H14O3/c20-17-14-10-4-5-11-15(14)18(21)19(22)16(17)12-6-9-13-7-2-1-3-8-13/h1-8,10-12,20H,9H2/b12-6+
InChIKey
MTGVKPBVFUKHLC-WUXMJOGZSA-N
Compound name
4-hydroxy-3-[(E)-3-phenylprop-1-enyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 165.4
[M+Na]+ 313.08352 174.1
[M-H]- 289.08702 171.9
[M+NH4]+ 308.12812 181.3
[M+K]+ 329.05746 167.9
[M+H-H2O]+ 273.09156 157.6
[M+HCOO]- 335.09250 186.0
[M+CH3COO]- 349.10815 200.5
[M+Na-2H]- 311.06897 169.7
[M]+ 290.09375 165.3
[M]- 290.09485 165.3
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

No patent data available for this compound.