CID 16124785

N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide

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 175.2
[M+Na]+ 360.09548 181.0
[M-H]- 336.09898 180.8
[M+NH4]+ 355.14008 187.8
[M+K]+ 376.06942 172.2
[M+H-H2O]+ 320.10352 171.2
[M+HCOO]- 382.10446 197.9
[M+CH3COO]- 396.12011 204.3
[M+Na-2H]- 358.08093 180.2
[M]+ 337.10571 174.3
[M]- 337.10681 174.3
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.