CID 16124785

Chembl223707

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CC1=CC=C(C=C1)CNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O4/c1-11-2-4-12(5-3-11)9-20-18(23)17(22)15-10-19-16-7-6-13(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
InChIKey
CXKKDMBQHWZSKG-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.10626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 175.0
[M+Na]+ 360.09548 187.7
[M+NH4]+ 355.14008 181.0
[M+K]+ 376.06942 186.3
[M-H]- 336.09898 179.0
[M+Na-2H]- 358.08093 181.0
[M]+ 337.10571 177.5
[M]- 337.10681 177.5
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.