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]+ 347.091416 178.5
[M+Na]+ 369.073358 189.5
[M-H]- 345.076864 183.6
[M+NH4]+ 364.117963 191.5
[M+K]+ 385.047298 183.1
[M+H-H2O]+ 329.081400 170.6
[M+HCOO]- 391.082341 195.9
[M+CH3COO]- 405.097991 189.2
[M+Na-2H]- 367.058806 183.4
[M]+ 346.08359142 180.8
[M]- 346.08468858 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.