CID 5332530

N'-[(e)-(2-nitrophenyl)methylidene]benzohydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

patents stripe