CID 515961

Chembl149227

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O
InChI
InChI=1S/C18H16N2O3/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/h1-3,5-6,8-9,11H,4,7,10H2,(H2,19,22)
InChIKey
MLAIEZKYCSMJFC-UHFFFAOYSA-N
Compound name
2,3-dioxo-1-(3-phenylpropyl)indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.3
[M+Na]+ 331.10532 179.3
[M-H]- 307.10882 177.4
[M+NH4]+ 326.14992 186.9
[M+K]+ 347.07926 174.2
[M+H-H2O]+ 291.11336 163.1
[M+HCOO]- 353.11430 192.6
[M+CH3COO]- 367.12995 208.3
[M+Na-2H]- 329.09077 172.2
[M]+ 308.11555 171.8
[M]- 308.11665 171.8
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.