CID 11033651

3-hydroxy-4-(4-hydroxyphenyl)-1h,3h-naphtho[1,8-cd]pyran-1-one

Structural Information

Molecular Formula
C18H12O4
SMILES
C1=CC2=C3C(=C1)C(=O)OC(C3=C(C=C2)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C18H12O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,18-19,21H
InChIKey
LIFGUYJSGKEZDL-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 163.6
[M+Na]+ 315.06277 180.2
[M+NH4]+ 310.10737 172.8
[M+K]+ 331.03671 172.6
[M-H]- 291.06627 169.6
[M+Na-2H]- 313.04822 170.2
[M]+ 292.07300 167.9
[M]- 292.07410 167.9
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.