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

0
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]+ 313.129526 169.3
[M+Na]+ 335.111468 173.1
[M-H]- 311.114974 176.9
[M+NH4]+ 330.156073 182.2
[M+K]+ 351.085408 165.9
[M+H-H2O]+ 295.119510 164.4
[M+HCOO]- 357.120451 197.9
[M+CH3COO]- 371.136101 208.7
[M+Na-2H]- 333.096916 176.5
[M]+ 312.12170142 167.4
[M]- 312.12279858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.