CID 50251

Brn 2305804

Structural Information

Molecular Formula
C21H16O4
SMILES
C1=CC=C2C(=C1)C(=CC(=C2CC3=C(C=C(C4=CC=CC=C43)O)O)O)O
InChI
InChI=1S/C21H16O4/c22-18-10-20(24)16(12-5-1-3-7-14(12)18)9-17-13-6-2-4-8-15(13)19(23)11-21(17)25/h1-8,10-11,22-25H,9H2
InChIKey
JVNQHANPPGWIDR-UHFFFAOYSA-N
Compound name
4-[(2,4-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

332.10486 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11214 176.0
[M+Na]+ 355.09408 186.2
[M-H]- 331.09758 180.7
[M+NH4]+ 350.13868 189.5
[M+K]+ 371.06802 179.3
[M+H-H2O]+ 315.10212 168.2
[M+HCOO]- 377.10306 193.2
[M+CH3COO]- 391.11871 186.5
[M+Na-2H]- 353.07953 181.5
[M]+ 332.10431 177.2
[M]- 332.10541 177.2
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

patents stripe