CID 6861632

N'-(4-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O3/c18-14(12-4-2-1-3-5-12)16-15-10-11-6-8-13(9-7-11)17(19)20/h1-10H,(H,16,18)/b15-10+
InChIKey
MVQGNPRBTFWEMO-XNTDXEJSSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.08005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 157.6
[M+Na]+ 292.06927 162.3
[M-H]- 268.07277 165.4
[M+NH4]+ 287.11387 172.4
[M+K]+ 308.04321 155.5
[M+H-H2O]+ 252.07731 153.4
[M+HCOO]- 314.07825 186.0
[M+CH3COO]- 328.09390 196.5
[M+Na-2H]- 290.05472 166.0
[M]+ 269.07950 155.4
[M]- 269.08060 155.4
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.