CID 515972

Chembl148199

Structural Information

Molecular Formula
C20H14N2O4
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1CN3C4=C(C=C(C=C4)C(=O)N)C(=O)C3=O
InChI
InChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25)
InChIKey
RTNHVMIFNFLRNR-UHFFFAOYSA-N
Compound name
1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 179.2
[M+Na]+ 369.08459 188.6
[M-H]- 345.08809 185.6
[M+NH4]+ 364.12919 193.7
[M+K]+ 385.05853 182.7
[M+H-H2O]+ 329.09263 171.2
[M+HCOO]- 391.09357 197.9
[M+CH3COO]- 405.10922 189.9
[M+Na-2H]- 367.07004 180.4
[M]+ 346.09482 179.6
[M]- 346.09592 179.6
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.