CID 9638690

4-methyl-n-(2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16N4O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O4/c1-12-5-7-14(8-6-12)17(23)18-11-16(22)20-19-10-13-3-2-4-15(9-13)21(24)25/h2-10H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+
InChIKey
HMGDAFQOSIRUNQ-VXLYETTFSA-N
Compound name
4-methyl-N-[2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11716 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12444 177.4
[M+Na]+ 363.10638 188.0
[M+NH4]+ 358.15098 182.8
[M+K]+ 379.08032 184.8
[M-H]- 339.10988 182.9
[M+Na-2H]- 361.09183 184.2
[M]+ 340.11661 179.9
[M]- 340.11771 179.9
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.