CID 6479424

Chembl150011

Structural Information

Molecular Formula
C18H14N2O3
SMILES
C1=CC=C(C=C1)/C=C/CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O
InChI
InChI=1S/C18H14N2O3/c19-17(22)13-8-9-15-14(11-13)16(21)18(23)20(15)10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,19,22)/b7-4+
InChIKey
JCHFHMQRCKRLEQ-QPJJXVBHSA-N
Compound name
2,3-dioxo-1-[(E)-3-phenylprop-2-enyl]indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 170.5
[M+Na]+ 329.08965 179.0
[M-H]- 305.09315 176.7
[M+NH4]+ 324.13425 186.2
[M+K]+ 345.06359 173.2
[M+H-H2O]+ 289.09769 162.5
[M+HCOO]- 351.09863 192.0
[M+CH3COO]- 365.11428 206.9
[M+Na-2H]- 327.07510 171.4
[M]+ 306.09988 170.2
[M]- 306.10098 170.2
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.