CID 515962

Chembl348660

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O
InChI
InChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20)
InChIKey
GNHGMLHHGVQGSW-UHFFFAOYSA-N
Compound name
1-benzyl-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.08478 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 162.0
[M+Na]+ 303.073998 171.1
[M-H]- 279.077504 168.6
[M+NH4]+ 298.118603 178.9
[M+K]+ 319.047938 166.4
[M+H-H2O]+ 263.082040 154.3
[M+HCOO]- 325.082981 184.1
[M+CH3COO]- 339.098631 202.3
[M+Na-2H]- 301.059446 164.1
[M]+ 280.08423142 161.9
[M]- 280.08532858 161.9
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.