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]+ 332.09175 175.2
[M+Na]+ 354.07369 184.6
[M-H]- 330.07719 181.8
[M+NH4]+ 349.11829 190.6
[M+K]+ 370.04763 178.8
[M+H-H2O]+ 314.08173 167.2
[M+HCOO]- 376.08267 193.6
[M+CH3COO]- 390.09832 186.4
[M+Na-2H]- 352.05914 177.3
[M]+ 331.08392 176.7
[M]- 331.08502 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.