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]+ 284.10298 162.5
[M+Na]+ 306.08492 167.7
[M-H]- 282.08842 170.5
[M+NH4]+ 301.12952 177.0
[M+K]+ 322.05886 160.7
[M+H-H2O]+ 266.09296 158.3
[M+HCOO]- 328.09390 190.5
[M+CH3COO]- 342.10955 200.6
[M+Na-2H]- 304.07037 169.6
[M]+ 283.09515 161.0
[M]- 283.09625 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.