CID 11631316

Chembl383761

Structural Information

Molecular Formula
C20H13NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)C(=O)O)C(=O)C3=O
InChI
InChI=1S/C20H13NO4/c22-18-16-10-15(20(24)25)7-8-17(16)21(19(18)23)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,24,25)
InChIKey
CDQXORKPLJMKQR-UHFFFAOYSA-N
Compound name
1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

331.08447 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.091746 175.2
[M+Na]+ 354.073688 184.6
[M-H]- 330.077194 181.8
[M+NH4]+ 349.118293 190.6
[M+K]+ 370.047628 178.8
[M+H-H2O]+ 314.081730 167.2
[M+HCOO]- 376.082671 193.6
[M+CH3COO]- 390.098321 186.4
[M+Na-2H]- 352.059136 177.3
[M]+ 331.08392142 176.7
[M]- 331.08501858 176.7
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

No patent data available for this compound.