CID 515965

Chembl148689

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O
InChI
InChI=1S/C17H14N2O3/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21)
InChIKey
QOGZOHZBTXDGGJ-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.7
[M+Na]+ 317.08965 176.2
[M-H]- 293.09315 173.5
[M+NH4]+ 312.13425 183.3
[M+K]+ 333.06359 171.3
[M+H-H2O]+ 277.09769 159.1
[M+HCOO]- 339.09863 188.4
[M+CH3COO]- 353.11428 206.6
[M+Na-2H]- 315.07510 167.5
[M]+ 294.09988 167.3
[M]- 294.10098 167.3
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.