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]+ 281.09206 162.0
[M+Na]+ 303.07400 171.1
[M-H]- 279.07750 168.6
[M+NH4]+ 298.11860 178.9
[M+K]+ 319.04794 166.4
[M+H-H2O]+ 263.08204 154.3
[M+HCOO]- 325.08298 184.1
[M+CH3COO]- 339.09863 202.3
[M+Na-2H]- 301.05945 164.1
[M]+ 280.08423 161.9
[M]- 280.08533 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.