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]+ 338.113536 175.2
[M+Na]+ 360.095478 181.0
[M-H]- 336.098984 180.8
[M+NH4]+ 355.140083 187.8
[M+K]+ 376.069418 172.2
[M+H-H2O]+ 320.103520 171.2
[M+HCOO]- 382.104461 197.9
[M+CH3COO]- 396.120111 204.3
[M+Na-2H]- 358.080926 180.2
[M]+ 337.10571142 174.3
[M]- 337.10680858 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.