CID 7976854

4-methoxy-n-(2-(2-(2-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16N4O5
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C17H16N4O5/c1-26-14-8-6-12(7-9-14)17(23)18-11-16(22)20-19-10-13-4-2-3-5-15(13)21(24)25/h2-10H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+
InChIKey
BIXBYKDJKVTKPS-VXLYETTFSA-N
Compound name
4-methoxy-N-[2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11206 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11934 178.7
[M+Na]+ 379.10128 181.6
[M-H]- 355.10478 186.2
[M+NH4]+ 374.14588 189.4
[M+K]+ 395.07522 175.6
[M+H-H2O]+ 339.10932 173.3
[M+HCOO]- 401.11026 206.5
[M+CH3COO]- 415.12591 215.2
[M+Na-2H]- 377.08673 184.8
[M]+ 356.11151 178.3
[M]- 356.11261 178.3
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.