CID 374354

Nsc651926

Structural Information

Molecular Formula
C21H14O5
SMILES
C1=CC(=CC2=C1C=CC(=C2C3=C(C=CC4=C3C(=C(C=C4)O)C=O)O)O)O
InChI
InChI=1S/C21H14O5/c22-10-15-16(24)6-3-12-4-8-18(26)21(19(12)15)20-14-9-13(23)5-1-11(14)2-7-17(20)25/h1-10,23-26H
InChIKey
KMCHFCKHNHBQNL-UHFFFAOYSA-N
Compound name
8-(2,7-dihydroxynaphthalen-1-yl)-2,7-dihydroxynaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08414 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09142 178.5
[M+Na]+ 369.07336 189.5
[M-H]- 345.07686 183.6
[M+NH4]+ 364.11796 191.5
[M+K]+ 385.04730 183.1
[M+H-H2O]+ 329.08140 170.6
[M+HCOO]- 391.08234 195.9
[M+CH3COO]- 405.09799 189.2
[M+Na-2H]- 367.05881 183.4
[M]+ 346.08359 180.8
[M]- 346.08469 180.8
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.