CID 5335160

4-methyl-n'-(3-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O3/c1-11-5-7-13(8-6-11)15(19)17-16-10-12-3-2-4-14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKey
CHQGMIODLKNGMK-MHWRWJLKSA-N
Compound name
4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 162.5
[M+Na]+ 306.084918 167.7
[M-H]- 282.088424 170.5
[M+NH4]+ 301.129523 177.0
[M+K]+ 322.058858 160.7
[M+H-H2O]+ 266.092960 158.3
[M+HCOO]- 328.093901 190.5
[M+CH3COO]- 342.109551 200.6
[M+Na-2H]- 304.070366 169.6
[M]+ 283.09515142 161.0
[M]- 283.09624858 161.0
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.