CID 275508

Nsc122391

Structural Information

Molecular Formula
C24H14O5
SMILES
C1=CC2=C(C(=C1)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=CC=C2)C(=O)O
InChI
InChI=1S/C24H14O5/c25-14-7-9-16-20(11-14)29-21-12-15(26)8-10-17(21)23(16)18-5-1-3-13-4-2-6-19(22(13)18)24(27)28/h1-12,25H,(H,27,28)
InChIKey
DNVGCSHHOPOHOW-UHFFFAOYSA-N
Compound name
8-(3-hydroxy-6-oxoxanthen-9-yl)naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.08414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09142 187.5
[M+Na]+ 405.07336 198.3
[M-H]- 381.07686 196.2
[M+NH4]+ 400.11796 199.2
[M+K]+ 421.04730 193.5
[M+H-H2O]+ 365.08140 177.7
[M+HCOO]- 427.08234 204.5
[M+CH3COO]- 441.09799 198.2
[M+Na-2H]- 403.05881 194.4
[M]+ 382.08359 191.5
[M]- 382.08469 191.5
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

No patent data available for this compound.