CID 6893382

2-(4-methylphenoxy)-n'-(4-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C16H15N3O4
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O4/c1-12-2-8-15(9-3-12)23-11-16(20)18-17-10-13-4-6-14(7-5-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKey
ZNNRSTQORFRHPR-LICLKQGHSA-N
Compound name
2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 170.6
[M+Na]+ 336.09548 183.0
[M+NH4]+ 331.14008 177.1
[M+K]+ 352.06942 178.9
[M-H]- 312.09898 176.4
[M+Na-2H]- 334.08093 178.5
[M]+ 313.10571 173.7
[M]- 313.10681 173.7
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.