CID 74027046

2,3-dihydro-4-(4-methoxyphenyl)-1h-phenalene-1,2,3-triol

Structural Information

Molecular Formula
C20H18O4
SMILES
COC1=CC=C(C=C1)C2=C3C(C(C(C4=CC=CC(=C43)C=C2)O)O)O
InChI
InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3
InChIKey
UBACNSNNFBHJLG-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

322.1205 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 174.4
[M+Na]+ 345.109718 182.5
[M-H]- 321.113224 178.8
[M+NH4]+ 340.154323 189.2
[M+K]+ 361.083658 177.1
[M+H-H2O]+ 305.117760 166.7
[M+HCOO]- 367.118701 189.3
[M+CH3COO]- 381.134351 184.5
[M+Na-2H]- 343.095166 178.5
[M]+ 322.11995142 174.7
[M]- 322.12104858 174.7
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

patents stripe