CID 9602740

N'-(3-nitrobenzylidene)-2-(2-toluidino)acetohydrazide

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CC1=CC=CC=C1NCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H16N4O3/c1-12-5-2-3-8-15(12)17-11-16(21)19-18-10-13-6-4-7-14(9-13)20(22)23/h2-10,17H,11H2,1H3,(H,19,21)/b18-10+
InChIKey
QSPWITKZZBEYFK-VCHYOVAHSA-N
Compound name
2-(2-methylanilino)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

312.12225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 171.4
[M+Na]+ 335.11147 183.0
[M+NH4]+ 330.15607 177.9
[M+K]+ 351.08541 178.7
[M-H]- 311.11497 177.8
[M+Na-2H]- 333.09692 179.3
[M]+ 312.12170 174.4
[M]- 312.12280 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.