CID 9670156

2-(4-butylphenoxy)-n'-{4-nitrobenzylidene}acetohydrazide

Structural Information

Molecular Formula
C19H21N3O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O4/c1-2-3-4-15-7-11-18(12-8-15)26-14-19(23)21-20-13-16-5-9-17(10-6-16)22(24)25/h5-13H,2-4,14H2,1H3,(H,21,23)/b20-13+
InChIKey
AJPUFXBGAAAQBW-DEDYPNTBSA-N
Compound name
2-(4-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.160476 184.3
[M+Na]+ 378.142418 187.4
[M-H]- 354.145924 191.4
[M+NH4]+ 373.187023 195.6
[M+K]+ 394.116358 180.1
[M+H-H2O]+ 338.150460 178.9
[M+HCOO]- 400.151401 211.0
[M+CH3COO]- 414.167051 214.8
[M+Na-2H]- 376.127866 189.5
[M]+ 355.15265142 185.4
[M]- 355.15374858 185.4
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.