CID 25076214

Unonal

Structural Information

Molecular Formula
C17H12O5
SMILES
CC1=C(C(=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)C=O)O
InChI
InChI=1S/C17H12O5/c1-9-15(20)11(8-18)16(21)14-12(19)7-13(22-17(9)14)10-5-3-2-4-6-10/h2-8,20-21H,1H3
InChIKey
IGNBNJUVMNCTNB-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-methyl-4-oxo-2-phenylchromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.06848 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 163.7
[M+Na]+ 319.05770 175.2
[M-H]- 295.06120 171.1
[M+NH4]+ 314.10230 178.0
[M+K]+ 335.03164 171.7
[M+H-H2O]+ 279.06574 156.3
[M+HCOO]- 341.06668 184.1
[M+CH3COO]- 355.08233 200.6
[M+Na-2H]- 317.04315 169.1
[M]+ 296.06793 167.8
[M]- 296.06903 167.8
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.