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]+ 313.12953 169.3
[M+Na]+ 335.11147 173.1
[M-H]- 311.11497 176.9
[M+NH4]+ 330.15607 182.2
[M+K]+ 351.08541 165.9
[M+H-H2O]+ 295.11951 164.4
[M+HCOO]- 357.12045 197.9
[M+CH3COO]- 371.13610 208.7
[M+Na-2H]- 333.09692 176.5
[M]+ 312.12170 167.4
[M]- 312.12280 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.