CID 6873068

2-(4-butylphenoxy)-n'-(3-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C19H21N3O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O4/c1-2-3-5-15-8-10-18(11-9-15)26-14-19(23)21-20-13-16-6-4-7-17(12-16)22(24)25/h4,6-13H,2-3,5,14H2,1H3,(H,21,23)/b20-13+
InChIKey
DVIYNYOSXVPVDW-DEDYPNTBSA-N
Compound name
2-(4-butylphenoxy)-N-[(E)-(3-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]+ 356.16048 184.3
[M+Na]+ 378.14242 187.4
[M-H]- 354.14592 191.4
[M+NH4]+ 373.18702 195.6
[M+K]+ 394.11636 180.1
[M+H-H2O]+ 338.15046 178.9
[M+HCOO]- 400.15140 211.0
[M+CH3COO]- 414.16705 214.8
[M+Na-2H]- 376.12787 189.5
[M]+ 355.15265 185.4
[M]- 355.15375 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.